4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine

C11H18ClN3 — CID 107055114

IUPAC4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1nccc(CN)c1Cl
InChIInChI=1S/C11H18ClN3/c1-4-8(2)15(3)11-10(12)9(7-13)5-6-14-11/h5-6,8H,4,7,13H2,1-3H3
InChIKeyVNHITKIKBTUCTH-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.43
Rot. Bonds4

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

4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine (PubChem CID 107055114) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
PubChem CID107055114
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1nccc(CN)c1Cl
InChIInChI=1S/C11H18ClN3/c1-4-8(2)15(3)11-10(12)9(7-13)5-6-14-11/h5-6,8H,4,7,13H2,1-3H3
InChIKeyVNHITKIKBTUCTH-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine (CID 107055114) is 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine is CCC(C)N(C)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine?
The InChIKey is VNHITKIKBTUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-8(2)15(3)11-10(12)9(7-13)5-6-14-11/h5-6,8H,4,7,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine?
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 107055114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).