3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine

C12H19ClN2 — CID 63838521

IUPAC3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
SMILESCCC(CC)C(C)Nc1ncccc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-10(5-2)9(3)15-12-11(13)7-6-8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyGSCWXUHLSOHHEB-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine

3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine (PubChem CID 63838521) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
PubChem CID63838521
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
SMILESCCC(CC)C(C)Nc1ncccc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-10(5-2)9(3)15-12-11(13)7-6-8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyGSCWXUHLSOHHEB-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 60701648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine (CID 63838521) is 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine is CCC(CC)C(C)Nc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The InChIKey is GSCWXUHLSOHHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-10(5-2)9(3)15-12-11(13)7-6-8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine?
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 63838521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).