[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol

C15H32N2O — CID 79640947

IUPAC[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(14(2,3)4)17(6)13-8-7-9-15(10-13,11-18)16-5/h12-13,16,18H,7-11H2,1-6H3
InChIKeyFDYKDIMKYDNTPD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds4

About [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol

[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640947) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
PubChem CID79640947
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-12(14(2,3)4)17(6)13-8-7-9-15(10-13,11-18)16-5/h12-13,16,18H,7-11H2,1-6H3
InChIKeyFDYKDIMKYDNTPD-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclopentyl]methanol
CID 79656680
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
[1-(methylamino)-3-[methyl(pentan-2-yl)amino]cyclopentyl]methanol
CID 79656781
[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640306
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
[1-(ethylamino)-3-[methyl(pentan-2-yl)amino]cyclohexyl]methanol
CID 79640702
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79641023
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 81065074
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994

Frequently Asked Questions

What is the IUPAC name of [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol (CID 79640947) is [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(N(C)C(C)C(C)(C)C)C1.
What is the InChIKey of [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
The InChIKey is FDYKDIMKYDNTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(14(2,3)4)17(6)13-8-7-9-15(10-13,11-18)16-5/h12-13,16,18H,7-11H2,1-6H3.
What are the key properties of [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol?
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).