1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine

C9H14ClN3 — CID 115303812

IUPAC1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccncc1Cl
InChIInChI=1S/C9H14ClN3/c1-9(2,11)6-13-8-3-4-12-5-7(8)10/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyWVOUSORCPLIOMS-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.88
Rot. Bonds3

About 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine

1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine (PubChem CID 115303812) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
PubChem CID115303812
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccncc1Cl
InChIInChI=1S/C9H14ClN3/c1-9(2,11)6-13-8-3-4-12-5-7(8)10/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyWVOUSORCPLIOMS-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306332
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053
1-[(3-chloro-4-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254317
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-(2-chloro-4,4-dimethylpentyl)pyridin-4-amine
CID 107156107
3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
3-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-amine
CID 103883635
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
CID 79839873

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine (CID 115303812) is 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1ccncc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine?
The InChIKey is WVOUSORCPLIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-9(2,11)6-13-8-3-4-12-5-7(8)10/h3-5H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine?
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine has a molecular weight of 199.69 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115303812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).