N-[(1S)-1-cyclohexylethyl]propan-2-amine

C11H23N — CID 58682676

IUPACN-[(1S)-1-cyclohexylethyl]propan-2-amine
SMILESCC(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNPPZYRYJLGDVAJ-JTQLQIEISA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds3

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

N-[(1S)-1-cyclohexylethyl]propan-2-amine (PubChem CID 58682676) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]propan-2-amine
PubChem CID58682676
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(1S)-1-cyclohexylethyl]propan-2-amine
SMILESCC(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyNPPZYRYJLGDVAJ-JTQLQIEISA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
(3S)-1-cyclooctyl-3-N-(1-cyclooctylethyl)-2-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 170079336
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
[(1R)-1-cyclohexylethyl]hydrazine
CID 51585397
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]propan-2-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]propan-2-amine (CID 58682676) is N-[(1S)-1-cyclohexylethyl]propan-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]propan-2-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]propan-2-amine is CC(C)N[C@@H](C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]propan-2-amine?
The InChIKey is NPPZYRYJLGDVAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h9-12H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]propan-2-amine?
N-[(1S)-1-cyclohexylethyl]propan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]propan-2-amine is sourced from PubChem (CID 58682676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).