1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine

C12H17ClN2 — CID 103444555

IUPAC1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ncccc1Cl
InChIInChI=1S/C12H17ClN2/c1-4-14-11(8-9(2)3)12-10(13)6-5-7-15-12/h5-8,11,14H,4H2,1-3H3
InChIKeyFDSTYYHHYRXRII-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine

1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine (PubChem CID 103444555) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
PubChem CID103444555
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1ncccc1Cl
InChIInChI=1S/C12H17ClN2/c1-4-14-11(8-9(2)3)12-10(13)6-5-7-15-12/h5-8,11,14H,4H2,1-3H3
InChIKeyFDSTYYHHYRXRII-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
CID 82731279
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
CID 79190171
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 112749578
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
CID 79190959
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-ethyl-3-methyl-1-(2-methylpyrimidin-4-yl)but-2-en-1-amine
CID 115530788

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine (CID 103444555) is 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine is CCNC(C=C(C)C)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine?
The InChIKey is FDSTYYHHYRXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-4-14-11(8-9(2)3)12-10(13)6-5-7-15-12/h5-8,11,14H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine?
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine has a molecular weight of 224.73 g/mol, XLogP of 3.35, 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)-N-ethyl-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103444555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).