1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol

C15H31NO — CID 55098237

IUPAC1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16(13-9-7-6-8-10-13)12-11-14(17)15(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeySNUFMMPAKNOFNW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds5

About 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol

1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 55098237) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID55098237
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-5-16(13-9-7-6-8-10-13)12-11-14(17)15(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeySNUFMMPAKNOFNW-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623575
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
N,N-diethylcycloundecanamine
CID 163828609
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803
1-[cyclopropylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623569

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol (CID 55098237) is 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol is CCN(CCC(O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is SNUFMMPAKNOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-16(13-9-7-6-8-10-13)12-11-14(17)15(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 55098237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).