(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine

C17H27N — CID 125423706

IUPAC(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
SMILESC[C@@H]1CC([C@@H](C)NCc2ccccc2)C[C@H](C)C1
InChIInChI=1S/C17H27N/c1-13-9-14(2)11-17(10-13)15(3)18-12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3/t13-,14+,15-,17?/m1/s1
InChIKeyGTQFWBBRMLLMNF-AWVCJSPBSA-N
MW245.41 g/mol
LogP4.24
Rot. Bonds4

About (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine

(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine (PubChem CID 125423706) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
PubChem CID125423706
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
SMILESC[C@@H]1CC([C@@H](C)NCc2ccccc2)C[C@H](C)C1
InChIInChI=1S/C17H27N/c1-13-9-14(2)11-17(10-13)15(3)18-12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3/t13-,14+,15-,17?/m1/s1
InChIKeyGTQFWBBRMLLMNF-AWVCJSPBSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67740101
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1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
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N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
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(2S,3R)-N-benzyl-3-methylpentan-2-amine
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N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine?
The IUPAC name of (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine (CID 125423706) is (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine?
The canonical SMILES for (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine is C[C@@H]1CC([C@@H](C)NCc2ccccc2)C[C@H](C)C1.
What is the InChIKey of (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine?
The InChIKey is GTQFWBBRMLLMNF-AWVCJSPBSA-N. The full InChI is InChI=1S/C17H27N/c1-13-9-14(2)11-17(10-13)15(3)18-12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3/t13-,14+,15-,17?/m1/s1.
What are the key properties of (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine?
(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine is sourced from PubChem (CID 125423706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).