(1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde

C66H113Cl4Mn2N15O2 — CID 162269844

About (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde

(1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde (PubChem CID 162269844) has the molecular formula C66H113Cl4Mn2N15O2 and a molecular weight of 1400.42 g/mol. Its IUPAC name is (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde.

Molecular Properties

• Compound Name: (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde
• PubChem CID: 162269844
• Molecular Formula: C66H113Cl4Mn2N15O2
• Molecular Weight: 1400.42 g/mol
• Exact Mass: 1397.67
• IUPAC Name: (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde
• SMILES: C.C.C.C1=N\[C@@H]2CCCCC2NCCNC2CCCC[C@H]2/N=C/c2cccc/1n2.Cl[Mn]Cl.Cl[Mn]Cl.N[C@@H]1CCCCC1NCCN[C@@H]1CCCC[C@H]1N.O=Cc1cccc(C=O)n1.c1cc2nc(c1)CN[C@@H]1CCCCC1NCCNC1CCCC[C@H]1NC2
• InChI: InChI=1S/C21H35N5.C21H31N5.C14H30N4.C7H5NO2.3CH4.4ClH.2Mn/c2*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;15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;9-4-6-2-1-3-7(5-10)8-6;;;;;;;;;/h5-7,18-25H,1-4,8-15H2;5-7,14-15,18-23H,1-4,8-13H2;11-14,17-18H,1-10,15-16H2;1-5H;3*1H4;4*1H;;/q;;;;;;;;;;;2*+2/p-4/b;24-14-,25-15+;;;;;;;;;;;/t2*18?,19?,20-,21-;11-,12-,13-,14?;;;;;;;;;;/m111........../s1
• InChIKey: LFDFHYYDMLILLT-ZYJKERPTSA-J
• XLogP: 10.88
• TPSA: 245.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1400.42
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde?

The IUPAC name of (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde (CID 162269844) is (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde.

What is the SMILES notation for (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde?

The canonical SMILES for (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde is C.C.C.C1=N\[C@@H]2CCCCC2NCCNC2CCCC[C@H]2/N=C/c2cccc/1n2.Cl[Mn]Cl.Cl[Mn]Cl.N[C@@H]1CCCCC1NCCN[C@@H]1CCCC[C@H]1N.O=Cc1cccc(C=O)n1.c1cc2nc(c1)CN[C@@H]1CCCCC1NCCNC1CCCC[C@H]1NC2.

What is the InChIKey of (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde?

The InChIKey is LFDFHYYDMLILLT-ZYJKERPTSA-J. The full InChI is InChI=1S/C21H35N5.C21H31N5.C14H30N4.C7H5NO2.3CH4.4ClH.2Mn/c2*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;15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16;9-4-6-2-1-3-7(5-10)8-6;;;;;;;;;/h5-7,18-25H,1-4,8-15H2;5-7,14-15,18-23H,1-4,8-13H2;11-14,17-18H,1-10,15-16H2;1-5H;3*1H4;4*1H;;/q;;;;;;;;;;;2*+2/p-4/b;24-14-,25-15+;;;;;;;;;;;/t2*18?,19?,20-,21-;11-,12-,13-,14?;;;;;;;;;;/m111........../s1.

What are the key properties of (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde?

(1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde has a molecular weight of 1400.42 g/mol, XLogP of 10.88, 7 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine;bis(dichloromanganese);methane;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),2,20,22,24-pentaene;(4R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;pyridine-2,6-dicarbaldehyde is sourced from PubChem (CID 162269844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).