2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine

C12H20ClN3 — CID 115310079

IUPAC2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H20ClN3/c1-9(2)6-12(3,8-14)16-11-5-4-10(13)7-15-11/h4-5,7,9H,6,8,14H2,1-3H3,(H,15,16)
InChIKeyWNDBYJXRKZNWLM-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.91
Rot. Bonds5

About 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine

2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 115310079) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
PubChem CID115310079
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H20ClN3/c1-9(2)6-12(3,8-14)16-11-5-4-10(13)7-15-11/h4-5,7,9H,6,8,14H2,1-3H3,(H,15,16)
InChIKeyWNDBYJXRKZNWLM-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310284
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine
CID 83157020
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
2,4-dimethyl-2-N-(6-propan-2-yloxypyrazin-2-yl)pentane-1,2-diamine
CID 115310276
2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
CID 116783607
4-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136989493
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
2-N-(2-chloro-5-fluorophenyl)-2,4-dimethylpentane-1,2-diamine
CID 107527946

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine (CID 115310079) is 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is WNDBYJXRKZNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)6-12(3,8-14)16-11-5-4-10(13)7-15-11/h4-5,7,9H,6,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 241.77 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 115310079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).