4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine

C12H20ClN3 — CID 107055104

IUPAC4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1nccc(CN)c1Cl)C(C)C
InChIInChI=1S/C12H20ClN3/c1-4-7-16(9(2)3)12-11(13)10(8-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyWMMXIBWUTBGUKG-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.82
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine (PubChem CID 107055104) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
PubChem CID107055104
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1nccc(CN)c1Cl)C(C)C
InChIInChI=1S/C12H20ClN3/c1-4-7-16(9(2)3)12-11(13)10(8-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyWMMXIBWUTBGUKG-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
3-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 81248637
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine (CID 107055104) is 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine is CCCN(c1nccc(CN)c1Cl)C(C)C.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
The InChIKey is WMMXIBWUTBGUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-7-16(9(2)3)12-11(13)10(8-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.82, 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-propan-2-yl-N-propylpyridin-2-amine is sourced from PubChem (CID 107055104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).