(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

C15H27N3 — CID 81387906

IUPAC(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCC(C)n1cncc1CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-12(2)18-11-16-9-15(18)10-17-13(3)14-7-5-4-6-8-14/h9,11-14,17H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyFDWJMYNMDINFHT-ZDUSSCGKSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (PubChem CID 81387906) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
PubChem CID81387906
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCC(C)n1cncc1CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C15H27N3/c1-12(2)18-11-16-9-15(18)10-17-13(3)14-7-5-4-6-8-14/h9,11-14,17H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyFDWJMYNMDINFHT-ZDUSSCGKSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66162393
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 104865416
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 66164359
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (CID 81387906) is (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is CC(C)n1cncc1CN[C@@H](C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The InChIKey is FDWJMYNMDINFHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)18-11-16-9-15(18)10-17-13(3)14-7-5-4-6-8-14/h9,11-14,17H,4-8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).