[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol

C12H25NO — CID 61048609

IUPAC[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol
SMILESCCC(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-11(3)13-12(9-14)7-5-10(2)6-8-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyCACVAQJXXHZYLD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol

[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol (PubChem CID 61048609) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol
PubChem CID61048609
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol
SMILESCCC(C)NC1(CO)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-11(3)13-12(9-14)7-5-10(2)6-8-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyCACVAQJXXHZYLD-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.2)octan-1-ylmethanol
CID 16127399
(4-(Methylamino)cyclohexyl)methanol
CID 20760612
trans-(4-Methylaminomethyl-cyclohexyl)-methanol
CID 22236270
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[4-Tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045651
[4-(2-Methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046754
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317
[4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 62552837

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol (CID 61048609) is [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol is CCC(C)NC1(CO)CCC(C)CC1.
What is the InChIKey of [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol?
The InChIKey is CACVAQJXXHZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(3)13-12(9-14)7-5-10(2)6-8-12/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol?
[1-(butan-2-ylamino)-4-methylcyclohexyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 61048609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).