[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol

C16H31NO — CID 81435372

IUPAC[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)CCCC(NCC2(CO)CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-15(2)8-6-7-14(11-15)17-12-16(13-18)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3
InChIKeyZPKNHBOCTPCFNT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds4

About [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol

[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol (PubChem CID 81435372) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
PubChem CID81435372
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)CCCC(NCC2(CO)CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-15(2)8-6-7-14(11-15)17-12-16(13-18)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3
InChIKeyZPKNHBOCTPCFNT-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol (CID 81435372) is [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol is CC1(C)CCCC(NCC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ZPKNHBOCTPCFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)8-6-7-14(11-15)17-12-16(13-18)9-4-3-5-10-16/h14,17-18H,3-13H2,1-2H3.
What are the key properties of [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol?
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).