N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine

C9H14ClN3 — CID 60870040

IUPACN'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncccc1Cl
InChIInChI=1S/C9H14ClN3/c1-13(7-3-5-11)9-8(10)4-2-6-12-9/h2,4,6H,3,5,7,11H2,1H3
InChIKeyGRXGYCBEOYPZJP-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.52
Rot. Bonds4

About N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine

N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine (PubChem CID 60870040) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
PubChem CID60870040
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ncccc1Cl
InChIInChI=1S/C9H14ClN3/c1-13(7-3-5-11)9-8(10)4-2-6-12-9/h2,4,6H,3,5,7,11H2,1H3
InChIKeyGRXGYCBEOYPZJP-UHFFFAOYSA-N
XLogP1.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
N'-(3-chloro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62591421
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine (CID 60870040) is N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ncccc1Cl.
What is the InChIKey of N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The InChIKey is GRXGYCBEOYPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-13(7-3-5-11)9-8(10)4-2-6-12-9/h2,4,6H,3,5,7,11H2,1H3.
What are the key properties of N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine has a molecular weight of 199.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 60870040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).