2-methyl-1-pyridin-3-ylpropane-1,3-diamine

C9H15N3 — CID 116933165

IUPAC2-methyl-1-pyridin-3-ylpropane-1,3-diamine
SMILESCC(CN)C(N)c1cccnc1
InChIInChI=1S/C9H15N3/c1-7(5-10)9(11)8-3-2-4-12-6-8/h2-4,6-7,9H,5,10-11H2,1H3
InChIKeyLXNOISSIFQQCPM-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-1-pyridin-3-ylpropane-1,3-diamine

2-methyl-1-pyridin-3-ylpropane-1,3-diamine (PubChem CID 116933165) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-1-pyridin-3-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-1-pyridin-3-ylpropane-1,3-diamine
PubChem CID116933165
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-methyl-1-pyridin-3-ylpropane-1,3-diamine
SMILESCC(CN)C(N)c1cccnc1
InChIInChI=1S/C9H15N3/c1-7(5-10)9(11)8-3-2-4-12-6-8/h2-4,6-7,9H,5,10-11H2,1H3
InChIKeyLXNOISSIFQQCPM-UHFFFAOYSA-N
XLogP0.68
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-3-ylpropane-1,3-diamine?
The IUPAC name of 2-methyl-1-pyridin-3-ylpropane-1,3-diamine (CID 116933165) is 2-methyl-1-pyridin-3-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-1-pyridin-3-ylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-1-pyridin-3-ylpropane-1,3-diamine is CC(CN)C(N)c1cccnc1.
What is the InChIKey of 2-methyl-1-pyridin-3-ylpropane-1,3-diamine?
The InChIKey is LXNOISSIFQQCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(5-10)9(11)8-3-2-4-12-6-8/h2-4,6-7,9H,5,10-11H2,1H3.
What are the key properties of 2-methyl-1-pyridin-3-ylpropane-1,3-diamine?
2-methyl-1-pyridin-3-ylpropane-1,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-3-ylpropane-1,3-diamine is sourced from PubChem (CID 116933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).