(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol

C13H27NO — CID 79253771

IUPAC(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
SMILESCC1CCC(C)C(N[C@H](CO)C(C)C)C1
InChIInChI=1S/C13H27NO/c1-9(2)13(8-15)14-12-7-10(3)5-6-11(12)4/h9-15H,5-8H2,1-4H3/t10?,11?,12?,13-/m1/s1
InChIKeyXFEKKHOHSWTUFM-NODFVKRRSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds4

About (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol

(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol (PubChem CID 79253771) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
PubChem CID79253771
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
SMILESCC1CCC(C)C(N[C@H](CO)C(C)C)C1
InChIInChI=1S/C13H27NO/c1-9(2)13(8-15)14-12-7-10(3)5-6-11(12)4/h9-15H,5-8H2,1-4H3/t10?,11?,12?,13-/m1/s1
InChIKeyXFEKKHOHSWTUFM-NODFVKRRSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutanoic acid
CID 64762107
2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102904416
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
CID 79254765
2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid
CID 65060020
2,5-dimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82709397
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol (CID 79253771) is (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol is CC1CCC(C)C(N[C@H](CO)C(C)C)C1.
What is the InChIKey of (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol?
The InChIKey is XFEKKHOHSWTUFM-NODFVKRRSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)13(8-15)14-12-7-10(3)5-6-11(12)4/h9-15H,5-8H2,1-4H3/t10?,11?,12?,13-/m1/s1.
What are the key properties of (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).