1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol

C15H31NO — CID 62623575

IUPAC1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)14(17)10-11-16(4)12-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3
InChIKeyOJWPJOZUFJZSAO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds5

About 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol

1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62623575) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62623575
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
SMILESCN(CCC(O)C(C)(C)C)CC1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)14(17)10-11-16(4)12-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3
InChIKeyOJWPJOZUFJZSAO-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623569
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol (CID 62623575) is 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol is CN(CCC(O)C(C)(C)C)CC1CCCCC1.
What is the InChIKey of 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is OJWPJOZUFJZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)14(17)10-11-16(4)12-13-8-6-5-7-9-13/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol?
1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).