N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride

C9H17Cl2N3 — CID 134690924

IUPACN'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
SMILESCN(CCCN)c1ccccn1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-12(8-4-6-10)9-5-2-3-7-11-9;;/h2-3,5,7H,4,6,8,10H2,1H3;2*1H
InChIKeyLVONCNJVYXKJAH-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.71
Rot. Bonds4

About N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride

N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride (PubChem CID 134690924) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
PubChem CID134690924
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC NameN'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
SMILESCN(CCCN)c1ccccn1.Cl.Cl
InChIInChI=1S/C9H15N3.2ClH/c1-12(8-4-6-10)9-5-2-3-7-11-9;;/h2-3,5,7H,4,6,8,10H2,1H3;2*1H
InChIKeyLVONCNJVYXKJAH-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
2-ethyl-N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 115251395
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride (CID 134690924) is N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride is CN(CCCN)c1ccccn1.Cl.Cl.
What is the InChIKey of N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride?
The InChIKey is LVONCNJVYXKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-12(8-4-6-10)9-5-2-3-7-11-9;;/h2-3,5,7H,4,6,8,10H2,1H3;2*1H.
What are the key properties of N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride?
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 134690924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).