(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride

C210H414Cl36Mn6N54 — CID 162299610

IUPAC(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.N[C@@H]1CCCCC1NCCN[C@H]1CCCC[C@H]1N.N[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2
InChIInChI=1S/6C21H35N5.6C14H30N4.36ClH.6Mn/c6*1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;6*15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*5-7,18-25H,1-4,8-15H2;6*11-14,17-18H,1-10,15-16H2;36*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12/t2*18-,19?,20+,21+;18-,19?,20+,21-;18-,19?,20-,21+;2*18-,19?,20-,21-;11-,12+,13+,14?;2*11-,12-,13+,14?;3*11-,12-,13-,14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m100100110000........................................../s1
InChIKeyPTTXVVOPEBYFGX-TYDZAOAHSA-B
MW5301.94 g/mol
LogP35.07
Rot. Bonds30

About (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride

(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride (PubChem CID 162299610) has the molecular formula C210H414Cl36Mn6N54 and a molecular weight of 5301.94 g/mol. Its IUPAC name is (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride.

Molecular Properties

Compound Name(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride
PubChem CID162299610
Molecular FormulaC210H414Cl36Mn6N54
Molecular Weight5301.94 g/mol
Exact Mass5281.91
IUPAC Name(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.N[C@@H]1CCCCC1NCCN[C@H]1CCCC[C@H]1N.N[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2
InChIInChI=1S/6C21H35N5.6C14H30N4.36ClH.6Mn/c6*1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;6*15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*5-7,18-25H,1-4,8-15H2;6*11-14,17-18H,1-10,15-16H2;36*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12/t2*18-,19?,20+,21+;18-,19?,20+,21-;18-,19?,20-,21+;2*18-,19?,20-,21-;11-,12+,13+,14?;2*11-,12-,13+,14?;3*11-,12-,13-,14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m100100110000........................................../s1
InChIKeyPTTXVVOPEBYFGX-TYDZAOAHSA-B
XLogP35.07
TPSA822.66 Ų
H-Bond Donors48
H-Bond Acceptors54
Rotatable Bonds30
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005301.94
LogP ≤ 535.07
H-Bond Donors ≤ 548
H-Bond Acceptors ≤ 1054

Analyze (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride?
The IUPAC name of (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride (CID 162299610) is (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride.
What is the SMILES notation for (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride?
The canonical SMILES for (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.Cl[Mn]Cl.N[C@@H]1CCCCC1NCCN[C@H]1CCCC[C@H]1N.N[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.N[C@H]1CCCCC1NCCN[C@H]1CCCC[C@@H]1N.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@@H]1NCCNC1CCCC[C@H]1NC2.c1cc2nc(c1)CN[C@@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCNC1CCCC[C@@H]1NC2.c1cc2nc(c1)CN[C@H]1CCCC[C@H]1NCCNC1CCCC[C@@H]1NC2.
What is the InChIKey of (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride?
The InChIKey is PTTXVVOPEBYFGX-TYDZAOAHSA-B. The full InChI is InChI=1S/6C21H35N5.6C14H30N4.36ClH.6Mn/c6*1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;6*15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*5-7,18-25H,1-4,8-15H2;6*11-14,17-18H,1-10,15-16H2;36*1H;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+2/p-12/t2*18-,19?,20+,21+;18-,19?,20+,21-;18-,19?,20-,21+;2*18-,19?,20-,21-;11-,12+,13+,14?;2*11-,12-,13+,14?;3*11-,12-,13-,14?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m100100110000........................................../s1.
What are the key properties of (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride?
(1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride has a molecular weight of 5301.94 g/mol, XLogP of 35.07, 30 rotatable bonds, 48 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-N-[2-[[(1S,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;tris((1S)-2-N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine);(1S)-2-N-[2-[[(1R,2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;cis-(1R,2S)-2-N-[2-[[(2S)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;hexakis(dichloromanganese);(4S,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4R,14S,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;bis((4S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene);(4S,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;(4S,14R,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;tetracosahydrochloride is sourced from PubChem (CID 162299610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).