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

C12H18N2 — CID 82731279

IUPAC1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
SMILESCCc1cccnc1C(N)C=C(C)C
InChIInChI=1S/C12H18N2/c1-4-10-6-5-7-14-12(10)11(13)8-9(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyFQPWOTXWQSBGGH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.61
Rot. Bonds3

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

1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine (PubChem CID 82731279) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
PubChem CID82731279
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
SMILESCCc1cccnc1C(N)C=C(C)C
InChIInChI=1S/C12H18N2/c1-4-10-6-5-7-14-12(10)11(13)8-9(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyFQPWOTXWQSBGGH-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.61
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-3-en-1-amine
CID 82730508
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82729735
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-amine
CID 107896820
2-ethoxy-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82730504
2-[(3E)-6-chloro-4-methylocta-3,7-dien-2-yl]-3-ethylpyridine
CID 143246261
1-(3-ethyl-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 82729615
1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 82730525
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
CID 104804228
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine (CID 82731279) is 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine is CCc1cccnc1C(N)C=C(C)C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine?
The InChIKey is FQPWOTXWQSBGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-10-6-5-7-14-12(10)11(13)8-9(2)3/h5-8,11H,4,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine?
1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 82731279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).