N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine

C65H113N5 — CID 140888787

IUPACN,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
SMILESCC1CC(C2CNC(C3CCCCC3)NC2)CCC1N1C2CCC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CC2C2CC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CCC21
InChIInChI=1S/C65H113N5/c1-46-41-50(53-44-66-65(67-45-53)49-17-7-2-8-18-49)31-38-62(46)70-63-39-32-51(47-27-34-58(35-28-47)68(54-19-9-3-10-20-54)55-21-11-4-12-22-55)42-60(63)61-43-52(33-40-64(61)70)48-29-36-59(37-30-48)69(56-23-13-5-14-24-56)57-25-15-6-16-26-57/h46-67H,2-45H2,1H3
InChIKeyGLUUEZYPDOAAQL-UHFFFAOYSA-N
MW964.65 g/mol
LogP15.44
Rot. Bonds11

About N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine

N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine (PubChem CID 140888787) has the molecular formula C65H113N5 and a molecular weight of 964.65 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
PubChem CID140888787
Molecular FormulaC65H113N5
Molecular Weight964.65 g/mol
Exact Mass963.90
IUPAC NameN,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine
SMILESCC1CC(C2CNC(C3CCCCC3)NC2)CCC1N1C2CCC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CC2C2CC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CCC21
InChIInChI=1S/C65H113N5/c1-46-41-50(53-44-66-65(67-45-53)49-17-7-2-8-18-49)31-38-62(46)70-63-39-32-51(47-27-34-58(35-28-47)68(54-19-9-3-10-20-54)55-21-11-4-12-22-55)42-60(63)61-43-52(33-40-64(61)70)48-29-36-59(37-30-48)69(56-23-13-5-14-24-56)57-25-15-6-16-26-57/h46-67H,2-45H2,1H3
InChIKeyGLUUEZYPDOAAQL-UHFFFAOYSA-N
XLogP15.44
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.65
LogP ≤ 515.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine (CID 140888787) is N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine is CC1CC(C2CNC(C3CCCCC3)NC2)CCC1N1C2CCC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CC2C2CC(C3CCC(N(C4CCCCC4)C4CCCCC4)CC3)CCC21.
What is the InChIKey of N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine?
The InChIKey is GLUUEZYPDOAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H113N5/c1-46-41-50(53-44-66-65(67-45-53)49-17-7-2-8-18-49)31-38-62(46)70-63-39-32-51(47-27-34-58(35-28-47)68(54-19-9-3-10-20-54)55-21-11-4-12-22-55)42-60(63)61-43-52(33-40-64(61)70)48-29-36-59(37-30-48)69(56-23-13-5-14-24-56)57-25-15-6-16-26-57/h46-67H,2-45H2,1H3.
What are the key properties of N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine?
N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine has a molecular weight of 964.65 g/mol, XLogP of 15.44, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-[9-[4-(2-cyclohexyl-1,3-diazinan-5-yl)-2-methylcyclohexyl]-6-[4-(dicyclohexylamino)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 140888787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).