(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine

C15H24N2 — CID 81391298

IUPAC(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C15H24N2/c1-13(14-8-4-2-3-5-9-14)17-12-15-10-6-7-11-16-15/h6-7,10-11,13-14,17H,2-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyWKDLRLSXUKGEGJ-ZDUSSCGKSA-N
MW232.37 g/mol
LogP3.53
Rot. Bonds4

About (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine

(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 81391298) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID81391298
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C15H24N2/c1-13(14-8-4-2-3-5-9-14)17-12-15-10-6-7-11-16-15/h6-7,10-11,13-14,17H,2-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyWKDLRLSXUKGEGJ-ZDUSSCGKSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
(1S)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 156624677
(1R)-1-(2-phosphanylcyclopentyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 156624679
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760766
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine (CID 81391298) is (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine is C[C@H](NCc1ccccn1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is WKDLRLSXUKGEGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(14-8-4-2-3-5-9-14)17-12-15-10-6-7-11-16-15/h6-7,10-11,13-14,17H,2-5,8-9,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine?
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81391298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).