1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine

C11H17ClN2 — CID 103443833

IUPAC1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-8(4-2)10(13)11-9(12)6-5-7-14-11/h5-8,10H,3-4,13H2,1-2H3
InChIKeyQADFRNRDDSFEFO-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine

1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine (PubChem CID 103443833) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
PubChem CID103443833
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-8(4-2)10(13)11-9(12)6-5-7-14-11/h5-8,10H,3-4,13H2,1-2H3
InChIKeyQADFRNRDDSFEFO-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82729735
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
3-chloro-2-(3-chloropentan-2-yl)pyridine
CID 63561029
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(3-chloro-2-pyridinyl)prop-2-yn-1-amine
CID 103443721
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
[(3-chloro-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 103445949

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine (CID 103443833) is 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine is CCC(CC)C(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine?
The InChIKey is QADFRNRDDSFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-3-8(4-2)10(13)11-9(12)6-5-7-14-11/h5-8,10H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine?
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 103443833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).