(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine

C13H27N — CID 94431803

IUPAC(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
SMILESCC[C@H](C)CN[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27N/c1-4-11(2)10-14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyQDTHDOUBZKJNTF-NWDGAFQWSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine

(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine (PubChem CID 94431803) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
PubChem CID94431803
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
SMILESCC[C@H](C)CN[C@H](C)C1CCCCC1
InChIInChI=1S/C13H27N/c1-4-11(2)10-14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyQDTHDOUBZKJNTF-NWDGAFQWSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
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N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(2-methylbutyl)cyclopentanamine
CID 43200714
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine?
The IUPAC name of (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine (CID 94431803) is (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine.
What is the SMILES notation for (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine?
The canonical SMILES for (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine is CC[C@H](C)CN[C@H](C)C1CCCCC1.
What is the InChIKey of (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine?
The InChIKey is QDTHDOUBZKJNTF-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11(2)10-14-12(3)13-8-6-5-7-9-13/h11-14H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine?
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 94431803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).