[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine

C12H18ClN3 — CID 62299264

IUPAC[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCCC1CCCN1c1ncc(CN)cc1Cl
InChIInChI=1S/C12H18ClN3/c1-2-10-4-3-5-16(10)12-11(13)6-9(7-14)8-15-12/h6,8,10H,2-5,7,14H2,1H3
InChIKeyNYPSOUUEHVZQCV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.57
Rot. Bonds3

About [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine

[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 62299264) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID62299264
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCCC1CCCN1c1ncc(CN)cc1Cl
InChIInChI=1S/C12H18ClN3/c1-2-10-4-3-5-16(10)12-11(13)6-9(7-14)8-15-12/h6,8,10H,2-5,7,14H2,1H3
InChIKeyNYPSOUUEHVZQCV-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62330220
[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80631427
6-(2-ethylpyrrolidin-1-yl)-5-methylpyridin-3-amine
CID 62476384
[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637093
3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55243747
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 62299264) is [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine is CCC1CCCN1c1ncc(CN)cc1Cl.
What is the InChIKey of [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is NYPSOUUEHVZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-10-4-3-5-16(10)12-11(13)6-9(7-14)8-15-12/h6,8,10H,2-5,7,14H2,1H3.
What are the key properties of [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 62299264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).