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

C16H34N2O — CID 79640094

IUPAC[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)CCN(C)C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)8-10-18(5)15-7-6-9-16(11-15,12-19)17-14(3)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyPGHMRAFNHKRYOB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds7

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

[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640094) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640094
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)CCN(C)C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)8-10-18(5)15-7-6-9-16(11-15,12-19)17-14(3)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyPGHMRAFNHKRYOB-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634733
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656830
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 81065200

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640094) is [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)CCN(C)C1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is PGHMRAFNHKRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)8-10-18(5)15-7-6-9-16(11-15,12-19)17-14(3)4/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).