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

C9H14ClN3 — CID 65035349

IUPACN'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ncccc1Cl
InChIInChI=1S/C9H14ClN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyVUKRQSUGUGTAAA-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.74
Rot. Bonds4

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

N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine (PubChem CID 65035349) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
PubChem CID65035349
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ncccc1Cl
InChIInChI=1S/C9H14ClN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyVUKRQSUGUGTAAA-UHFFFAOYSA-N
XLogP1.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 103748441
N'-(2-bromo-3-chlorophenyl)-2-methylpropane-1,3-diamine
CID 130604497
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
3-chloro-N-(3,3-difluoropropyl)pyridin-2-amine
CID 130735662
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
2-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-diamine
CID 66106383
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 65034860

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine (CID 65035349) is N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine is CC(CN)CNc1ncccc1Cl.
What is the InChIKey of N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine?
The InChIKey is VUKRQSUGUGTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,5-6,11H2,1H3,(H,12,13).
What are the key properties of N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine?
N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine has a molecular weight of 199.69 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 65035349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).