N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine

C130H221F4N14O15S7-7 — CID 157447960

About N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine

N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine (PubChem CID 157447960) has the molecular formula C130H221F4N14O15S7-7 and a molecular weight of 2520.74 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine
• PubChem CID: 157447960
• Molecular Formula: C130H221F4N14O15S7-7
• Molecular Weight: 2520.74 g/mol
• Exact Mass: 2518.50
• IUPAC Name: N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine
• SMILES: CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1Cc2cc(NCC3CCC(N)CC3)ccc2C1C.COc1ccc(NCC2CCC(N)CC2)cc1.Cc1cc(NCC2CCC(N)CC2)cc2c1C(C)CC2.Cc1ccc(NCC2CCC(N)CC2)c2c1CCCC2.NC1CCC(CNC2CCCCC2)CC1.NC1CCC(CNCc2ccc(C(F)(F)F)cc2)CC1.NC1CCC(CNc2ccc(F)cc2)CC1
• InChI: InChI=1S/3C18H28N2.C15H21F3N2.C14H22N2O.C13H19FN2.C13H26N2.7C3H8O2S/c1-12-3-6-15-10-17(9-13(2)18(12)15)20-11-14-4-7-16(19)8-5-14;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-13-6-11-18(17-5-3-2-4-16(13)17)20-12-14-7-9-15(19)10-8-14;16-15(17,18)13-5-1-11(2-6-13)9-20-10-12-3-7-14(19)8-4-12;1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;7*1-3(2)6(4)5/h9-10,12,14,16,20H,3-8,11,19H2,1-2H3;7-8,10,12-14,16,20H,3-6,9,11,19H2,1-2H3;6,11,14-15,20H,2-5,7-10,12,19H2,1H3;1-2,5-6,12,14,20H,3-4,7-10,19H2;6-9,11-12,16H,2-5,10,15H2,1H3;3-4,7-8,10,12,16H,1-2,5-6,9,15H2;11-13,15H,1-10,14H2;7*3H,1-2H3,(H,4,5)/p-7
• InChIKey: APASLMWYKSPWRQ-UHFFFAOYSA-G
• XLogP: 24.72
• TPSA: 556.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.74
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine?

The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine (CID 157447960) is N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine.

What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine?

The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1Cc2cc(NCC3CCC(N)CC3)ccc2C1C.COc1ccc(NCC2CCC(N)CC2)cc1.Cc1cc(NCC2CCC(N)CC2)cc2c1C(C)CC2.Cc1ccc(NCC2CCC(N)CC2)c2c1CCCC2.NC1CCC(CNC2CCCCC2)CC1.NC1CCC(CNCc2ccc(C(F)(F)F)cc2)CC1.NC1CCC(CNc2ccc(F)cc2)CC1.

What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine?

The InChIKey is APASLMWYKSPWRQ-UHFFFAOYSA-G. The full InChI is InChI=1S/3C18H28N2.C15H21F3N2.C14H22N2O.C13H19FN2.C13H26N2.7C3H8O2S/c1-12-3-6-15-10-17(9-13(2)18(12)15)20-11-14-4-7-16(19)8-5-14;1-12-9-15-10-17(7-8-18(15)13(12)2)20-11-14-3-5-16(19)6-4-14;1-13-6-11-18(17-5-3-2-4-16(13)17)20-12-14-7-9-15(19)10-8-14;16-15(17,18)13-5-1-11(2-6-13)9-20-10-12-3-7-14(19)8-4-12;1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11;14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;7*1-3(2)6(4)5/h9-10,12,14,16,20H,3-8,11,19H2,1-2H3;7-8,10,12-14,16,20H,3-6,9,11,19H2,1-2H3;6,11,14-15,20H,2-5,7-10,12,19H2,1H3;1-2,5-6,12,14,20H,3-4,7-10,19H2;6-9,11-12,16H,2-5,10,15H2,1H3;3-4,7-8,10,12,16H,1-2,5-6,9,15H2;11-13,15H,1-10,14H2;7*3H,1-2H3,(H,4,5)/p-7.

What are the key properties of N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine?

N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine has a molecular weight of 2520.74 g/mol, XLogP of 24.72, 30 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminocyclohexyl)methyl]-1,2-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-1,7-dimethyl-2,3-dihydro-1H-inden-5-amine;N-[(4-aminocyclohexyl)methyl]-4-fluoroaniline;N-[(4-aminocyclohexyl)methyl]-4-methoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine;4-[(cyclohexylamino)methyl]cyclohexan-1-amine;heptakis(propane-2-sulfinate);4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 157447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).