1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine

C12H18N2 — CID 82730525

IUPAC1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ncccc1CC
InChIInChI=1S/C12H18N2/c1-5-10-7-6-8-14-12(10)11(13-4)9(2)3/h6-8,11,13H,2,5H2,1,3-4H3
InChIKeyDXIKFLPSYLCLHX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine

1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 82730525) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID82730525
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ncccc1CC
InChIInChI=1S/C12H18N2/c1-5-10-7-6-8-14-12(10)11(13-4)9(2)3/h6-8,11,13H,2,5H2,1,3-4H3
InChIKeyDXIKFLPSYLCLHX-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.48
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
1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
CID 82731279
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
1-(3-ethyl-2-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103036007
1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 82730091
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
2-cyclobutyl-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82729632
1-(3-ethyl-2-pyridinyl)-2-(furan-2-yl)-N-methylethanamine
CID 83182583
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82729735

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine (CID 82730525) is 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is DXIKFLPSYLCLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-10-7-6-8-14-12(10)11(13-4)9(2)3/h6-8,11,13H,2,5H2,1,3-4H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.48, 4 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)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 82730525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).