4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine

C12H18ClN3 — CID 107055569

IUPAC4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CC1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H18ClN3/c1-2-16(8-9-3-4-9)12-11(13)10(7-14)5-6-15-12/h5-6,9H,2-4,7-8,14H2,1H3
InChIKeyOSYAJUIXDDTEPQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.43
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine (PubChem CID 107055569) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
PubChem CID107055569
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CC1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H18ClN3/c1-2-16(8-9-3-4-9)12-11(13)10(7-14)5-6-15-12/h5-6,9H,2-4,7-8,14H2,1H3
InChIKeyOSYAJUIXDDTEPQ-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.43
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-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
3-chloro-N-(cyclopropylmethyl)-N-ethylpyrazin-2-amine
CID 63956678
4-(aminomethyl)-3-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 107055559
3-(aminomethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 43587118
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylpyridin-4-amine
CID 81247312
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methylpyridazin-3-amine
CID 80507556
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine (CID 107055569) is 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine is CCN(CC1CC1)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is OSYAJUIXDDTEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-16(8-9-3-4-9)12-11(13)10(7-14)5-6-15-12/h5-6,9H,2-4,7-8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.43, 5 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-(cyclopropylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).