(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine

C14H22N2 — CID 81384480

IUPAC(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H22N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyVBSYYPWGDBMMEG-GFCCVEGCSA-N
MW218.34 g/mol
LogP3.14
Rot. Bonds4

About (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine

(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 81384480) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID81384480
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H22N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyVBSYYPWGDBMMEG-GFCCVEGCSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113449658
(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine (CID 81384480) is (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine is C[C@@H](NCc1cccnc1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is VBSYYPWGDBMMEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(14-7-3-2-4-8-14)16-11-13-6-5-9-15-10-13/h5-6,9-10,12,14,16H,2-4,7-8,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine?
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 81384480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).