(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

C15H24N2 — CID 102880979

IUPAC(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C15H24N2/c1-12-8-14(10-16-9-12)11-17-13(2)15-6-4-3-5-7-15/h8-10,13,15,17H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyHYPFCQYJSRBFOY-ZDUSSCGKSA-N
MW232.37 g/mol
LogP3.45
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 102880979) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID102880979
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C15H24N2/c1-12-8-14(10-16-9-12)11-17-13(2)15-6-4-3-5-7-15/h8-10,13,15,17H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyHYPFCQYJSRBFOY-ZDUSSCGKSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113449658
(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (CID 102880979) is (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is Cc1cncc(CN[C@@H](C)C2CCCCC2)c1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is HYPFCQYJSRBFOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-14(10-16-9-12)11-17-13(2)15-6-4-3-5-7-15/h8-10,13,15,17H,3-7,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).