4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol

C34H61NO2 — CID 140828603

IUPAC4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(N(C2CCC(C)CC2)C2CCC(C(C)(C3CCC(O)CC3)C3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C34H61NO2/c1-24-4-14-29(15-5-24)35(30-16-6-25(2)7-17-30)31-18-8-26(9-19-31)34(3,27-10-20-32(36)21-11-27)28-12-22-33(37)23-13-28/h24-33,36-37H,4-23H2,1-3H3
InChIKeyFGPRWWHMQFPBNN-UHFFFAOYSA-N
MW515.87 g/mol
LogP8.11
Rot. Bonds6

About 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol

4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol (PubChem CID 140828603) has the molecular formula C34H61NO2 and a molecular weight of 515.87 g/mol. Its IUPAC name is 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
PubChem CID140828603
Molecular FormulaC34H61NO2
Molecular Weight515.87 g/mol
Exact Mass515.47
IUPAC Name4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
SMILESCC1CCC(N(C2CCC(C)CC2)C2CCC(C(C)(C3CCC(O)CC3)C3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C34H61NO2/c1-24-4-14-29(15-5-24)35(30-16-6-25(2)7-17-30)31-18-8-26(9-19-31)34(3,27-10-20-32(36)21-11-27)28-12-22-33(37)23-13-28/h24-33,36-37H,4-23H2,1-3H3
InChIKeyFGPRWWHMQFPBNN-UHFFFAOYSA-N
XLogP8.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.87
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol (CID 140828603) is 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol is CC1CCC(N(C2CCC(C)CC2)C2CCC(C(C)(C3CCC(O)CC3)C3CCC(O)CC3)CC2)CC1.
What is the InChIKey of 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
The InChIKey is FGPRWWHMQFPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61NO2/c1-24-4-14-29(15-5-24)35(30-16-6-25(2)7-17-30)31-18-8-26(9-19-31)34(3,27-10-20-32(36)21-11-27)28-12-22-33(37)23-13-28/h24-33,36-37H,4-23H2,1-3H3.
What are the key properties of 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol?
4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol has a molecular weight of 515.87 g/mol, XLogP of 8.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]-1-(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 140828603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).