1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol

C15H31NO — CID 66180147

IUPAC1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCC(C)C1C
InChIInChI=1S/C15H31NO/c1-11(2)9-15(5,17)10-16-14-8-6-7-12(3)13(14)4/h11-14,16-17H,6-10H2,1-5H3
InChIKeyCZYMLHOYCCBAEO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol

1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 66180147) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
PubChem CID66180147
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCC(C)C1C
InChIInChI=1S/C15H31NO/c1-11(2)9-15(5,17)10-16-14-8-6-7-12(3)13(14)4/h11-14,16-17H,6-10H2,1-5H3
InChIKeyCZYMLHOYCCBAEO-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
2,4-dimethyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-2-ol
CID 66178968
5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 113368941
2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 79540258
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
CID 114493275
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
CID 66174660
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
CID 64762295
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol (CID 66180147) is 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC1CCCC(C)C1C.
What is the InChIKey of 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is CZYMLHOYCCBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)9-15(5,17)10-16-14-8-6-7-12(3)13(14)4/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol?
1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66180147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).