N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane

C215H434N36O2 — CID 159760034

IUPACN-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane
SMILESC.C.C1CCC(NCCCN2CCN(CCCNC3CCCCC3)CC2)CC1.C1CCC(NCCN(CCNC2CCCCC2)CCNC2CCCCC2)CC1.C1CCC2CC(NCCCN3CCN(CCCNC4CCC5CCCCC5C4)CC3)CCC2C1.C1CCC2CC(NCCN(CCNC3CCC4CCCCC4C3)CCNC3CCC4CCCCC4C3)CCC2C1.C1CCCC(NCCCN2CCN(CCCNC3CCCCCCC3)CC2)CCC1.C1CCCC(NCCN(CCNC2CCCCCC2)CCNC2CCCCCC2)CC1.C1CCCC(NCCN(CCNC2CCCCCCC2)CCNC2CCCCCCC2)CCC1.C=O.C=O.NCCCN1CCN(CCCN)CC1.NCCN(CCN)CCN
InChIInChI=1S/C36H66N4.C30H56N4.C30H60N4.C27H54N4.C26H52N4.C24H48N4.C22H44N4.C10H24N4.C6H18N4.2CH2O.2CH4/c1-4-10-31-25-34(16-13-28(31)7-1)37-19-22-40(23-20-38-35-17-14-29-8-2-5-11-32(29)26-35)24-21-39-36-18-15-30-9-3-6-12-33(30)27-36;1-3-9-27-23-29(13-11-25(27)7-1)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30-14-12-26-8-2-4-10-28(26)24-30;1-4-10-16-28(17-11-5-1)31-22-25-34(26-23-32-29-18-12-6-2-7-13-19-29)27-24-33-30-20-14-8-3-9-15-21-30;1-2-8-14-25(13-7-1)28-19-22-31(23-20-29-26-15-9-3-4-10-16-26)24-21-30-27-17-11-5-6-12-18-27;1-3-7-13-25(14-8-4-1)27-17-11-19-29-21-23-30(24-22-29)20-12-18-28-26-15-9-5-2-6-10-16-26;1-4-10-22(11-5-1)25-16-19-28(20-17-26-23-12-6-2-7-13-23)21-18-27-24-14-8-3-9-15-24;1-3-9-21(10-4-1)23-13-7-15-25-17-19-26(20-18-25)16-8-14-24-22-11-5-2-6-12-22;11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;7-1-4-10(5-2-8)6-3-9;2*1-2;;/h28-39H,1-27H2;25-32H,1-24H2;28-33H,1-27H2;25-30H,1-24H2;25-28H,1-24H2;22-27H,1-21H2;21-24H,1-20H2;1-12H2;1-9H2;2*1H2;2*1H4
InChIKeyNETJVVGXUNUKDC-UHFFFAOYSA-N
MW3556.09 g/mol
LogP34.48
Rot. Bonds90

About N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane

N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane (PubChem CID 159760034) has the molecular formula C215H434N36O2 and a molecular weight of 3556.09 g/mol. Its IUPAC name is N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane.

Molecular Properties

Compound NameN-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane
PubChem CID159760034
Molecular FormulaC215H434N36O2
Molecular Weight3556.09 g/mol
Exact Mass3553.50
IUPAC NameN-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane
SMILESC.C.C1CCC(NCCCN2CCN(CCCNC3CCCCC3)CC2)CC1.C1CCC(NCCN(CCNC2CCCCC2)CCNC2CCCCC2)CC1.C1CCC2CC(NCCCN3CCN(CCCNC4CCC5CCCCC5C4)CC3)CCC2C1.C1CCC2CC(NCCN(CCNC3CCC4CCCCC4C3)CCNC3CCC4CCCCC4C3)CCC2C1.C1CCCC(NCCCN2CCN(CCCNC3CCCCCCC3)CC2)CCC1.C1CCCC(NCCN(CCNC2CCCCCC2)CCNC2CCCCCC2)CC1.C1CCCC(NCCN(CCNC2CCCCCCC2)CCNC2CCCCCCC2)CCC1.C=O.C=O.NCCCN1CCN(CCCN)CC1.NCCN(CCN)CCN
InChIInChI=1S/C36H66N4.C30H56N4.C30H60N4.C27H54N4.C26H52N4.C24H48N4.C22H44N4.C10H24N4.C6H18N4.2CH2O.2CH4/c1-4-10-31-25-34(16-13-28(31)7-1)37-19-22-40(23-20-38-35-17-14-29-8-2-5-11-32(29)26-35)24-21-39-36-18-15-30-9-3-6-12-33(30)27-36;1-3-9-27-23-29(13-11-25(27)7-1)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30-14-12-26-8-2-4-10-28(26)24-30;1-4-10-16-28(17-11-5-1)31-22-25-34(26-23-32-29-18-12-6-2-7-13-19-29)27-24-33-30-20-14-8-3-9-15-21-30;1-2-8-14-25(13-7-1)28-19-22-31(23-20-29-26-15-9-3-4-10-16-26)24-21-30-27-17-11-5-6-12-18-27;1-3-7-13-25(14-8-4-1)27-17-11-19-29-21-23-30(24-22-29)20-12-18-28-26-15-9-5-2-6-10-16-26;1-4-10-22(11-5-1)25-16-19-28(20-17-26-23-12-6-2-7-13-23)21-18-27-24-14-8-3-9-15-24;1-3-9-21(10-4-1)23-13-7-15-25-17-19-26(20-18-25)16-8-14-24-22-11-5-2-6-12-22;11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;7-1-4-10(5-2-8)6-3-9;2*1-2;;/h28-39H,1-27H2;25-32H,1-24H2;28-33H,1-27H2;25-30H,1-24H2;25-28H,1-24H2;22-27H,1-21H2;21-24H,1-20H2;1-12H2;1-9H2;2*1H2;2*1H4
InChIKeyNETJVVGXUNUKDC-UHFFFAOYSA-N
XLogP34.48
TPSA422.90 Ų
H-Bond Donors23
H-Bond Acceptors38
Rotatable Bonds90
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003556.09
LogP ≤ 534.48
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane?
The IUPAC name of N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane (CID 159760034) is N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane.
What is the SMILES notation for N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane?
The canonical SMILES for N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane is C.C.C1CCC(NCCCN2CCN(CCCNC3CCCCC3)CC2)CC1.C1CCC(NCCN(CCNC2CCCCC2)CCNC2CCCCC2)CC1.C1CCC2CC(NCCCN3CCN(CCCNC4CCC5CCCCC5C4)CC3)CCC2C1.C1CCC2CC(NCCN(CCNC3CCC4CCCCC4C3)CCNC3CCC4CCCCC4C3)CCC2C1.C1CCCC(NCCCN2CCN(CCCNC3CCCCCCC3)CC2)CCC1.C1CCCC(NCCN(CCNC2CCCCCC2)CCNC2CCCCCC2)CC1.C1CCCC(NCCN(CCNC2CCCCCCC2)CCNC2CCCCCCC2)CCC1.C=O.C=O.NCCCN1CCN(CCCN)CC1.NCCN(CCN)CCN.
What is the InChIKey of N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane?
The InChIKey is NETJVVGXUNUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N4.C30H56N4.C30H60N4.C27H54N4.C26H52N4.C24H48N4.C22H44N4.C10H24N4.C6H18N4.2CH2O.2CH4/c1-4-10-31-25-34(16-13-28(31)7-1)37-19-22-40(23-20-38-35-17-14-29-8-2-5-11-32(29)26-35)24-21-39-36-18-15-30-9-3-6-12-33(30)27-36;1-3-9-27-23-29(13-11-25(27)7-1)31-15-5-17-33-19-21-34(22-20-33)18-6-16-32-30-14-12-26-8-2-4-10-28(26)24-30;1-4-10-16-28(17-11-5-1)31-22-25-34(26-23-32-29-18-12-6-2-7-13-19-29)27-24-33-30-20-14-8-3-9-15-21-30;1-2-8-14-25(13-7-1)28-19-22-31(23-20-29-26-15-9-3-4-10-16-26)24-21-30-27-17-11-5-6-12-18-27;1-3-7-13-25(14-8-4-1)27-17-11-19-29-21-23-30(24-22-29)20-12-18-28-26-15-9-5-2-6-10-16-26;1-4-10-22(11-5-1)25-16-19-28(20-17-26-23-12-6-2-7-13-23)21-18-27-24-14-8-3-9-15-24;1-3-9-21(10-4-1)23-13-7-15-25-17-19-26(20-18-25)16-8-14-24-22-11-5-2-6-12-22;11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;7-1-4-10(5-2-8)6-3-9;2*1-2;;/h28-39H,1-27H2;25-32H,1-24H2;28-33H,1-27H2;25-30H,1-24H2;25-28H,1-24H2;22-27H,1-21H2;21-24H,1-20H2;1-12H2;1-9H2;2*1H2;2*1H4.
What are the key properties of N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane?
N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane has a molecular weight of 3556.09 g/mol, XLogP of 34.48, 90 rotatable bonds, 23 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propyl]piperazin-1-yl]propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N',N'-bis[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]ethane-1,2-diamine;3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N-cycloheptyl-N',N'-bis[2-(cycloheptylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine;N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine;N-[3-[4-[3-(cyclooctylamino)propyl]piperazin-1-yl]propyl]cyclooctanamine;N-cyclooctyl-N',N'-bis[2-(cyclooctylamino)ethyl]ethane-1,2-diamine;formaldehyde;methane is sourced from PubChem (CID 159760034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).