(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine

C14H29N — CID 59085001

IUPAC(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C[C@H](NC(C)C)C1CCCCC1
InChIInChI=1S/C14H29N/c1-11(2)10-14(15-12(3)4)13-8-6-5-7-9-13/h11-15H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyYYMGQRLNGRPEFO-AWEZNQCLSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds5

About (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine

(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 59085001) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID59085001
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C[C@H](NC(C)C)C1CCCCC1
InChIInChI=1S/C14H29N/c1-11(2)10-14(15-12(3)4)13-8-6-5-7-9-13/h11-15H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyYYMGQRLNGRPEFO-AWEZNQCLSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
1-cyclohexyl-4-methyl-N-propan-2-ylpentan-1-amine;N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
CID 158100965
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine (CID 59085001) is (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)C[C@H](NC(C)C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is YYMGQRLNGRPEFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)10-14(15-12(3)4)13-8-6-5-7-9-13/h11-15H,5-10H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine?
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 59085001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).