4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine

C13H20ClN3 — CID 107055552

IUPAC4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCC1)c1nccc(CN)c1Cl
InChIInChI=1S/C13H20ClN3/c1-17(9-10-4-2-3-5-10)13-12(14)11(8-15)6-7-16-13/h6-7,10H,2-5,8-9,15H2,1H3
InChIKeyUSYQAIWFDFPKHM-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.82
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine (PubChem CID 107055552) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
PubChem CID107055552
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCC1)c1nccc(CN)c1Cl
InChIInChI=1S/C13H20ClN3/c1-17(9-10-4-2-3-5-10)13-12(14)11(8-15)6-7-16-13/h6-7,10H,2-5,8-9,15H2,1H3
InChIKeyUSYQAIWFDFPKHM-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
4-(aminomethyl)-3-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 107055559
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methylpyridazin-3-amine
CID 80507556
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 107055209
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
3-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 107055806

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine (CID 107055552) is 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine is CN(CC1CCCC1)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
The InChIKey is USYQAIWFDFPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-17(9-10-4-2-3-5-10)13-12(14)11(8-15)6-7-16-13/h6-7,10H,2-5,8-9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 107055552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).