[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol

C18H36N2O — CID 79634733

IUPAC[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C18H36N2O/c1-14(2)19-18(13-21)11-7-9-16(12-18)20(4)17-10-6-5-8-15(17)3/h14-17,19,21H,5-13H2,1-4H3
InChIKeyIVKBQZLMYRLKBF-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds5

About [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol

[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79634733) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79634733
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N(C)C2CCCCC2C)C1
InChIInChI=1S/C18H36N2O/c1-14(2)19-18(13-21)11-7-9-16(12-18)20(4)17-10-6-5-8-15(17)3/h14-17,19,21H,5-13H2,1-4H3
InChIKeyIVKBQZLMYRLKBF-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

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Related Compounds

[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 79654717
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79634733) is [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(N(C)C2CCCCC2C)C1.
What is the InChIKey of [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is IVKBQZLMYRLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)19-18(13-21)11-7-9-16(12-18)20(4)17-10-6-5-8-15(17)3/h14-17,19,21H,5-13H2,1-4H3.
What are the key properties of [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79634733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).