N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine

C12H18N2 — CID 79190959

IUPACN,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1ncccc1C
InChIInChI=1S/C12H18N2/c1-9(2)8-11(13-4)12-10(3)6-5-7-14-12/h5-8,11,13H,1-4H3
InChIKeyQVTPXWIGARGTKS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.62
Rot. Bonds3

About N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine

N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine (PubChem CID 79190959) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
PubChem CID79190959
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1ncccc1C
InChIInChI=1S/C12H18N2/c1-9(2)8-11(13-4)12-10(3)6-5-7-14-12/h5-8,11,13H,1-4H3
InChIKeyQVTPXWIGARGTKS-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 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 ≤ 52.62
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

N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
CID 79190730
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
CID 105110557
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
1-(furan-2-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 63949984
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(3-bromo-2-pyridinyl)-3-methylbut-2-en-1-ol
CID 107526497
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
CID 105163290
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687408
N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
CID 62312186
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
1-(5-fluoro-2-pyridinyl)-N,3-dimethylbut-2-en-1-amine
CID 79712819

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine (CID 79190959) is N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine is CNC(C=C(C)C)c1ncccc1C.
What is the InChIKey of N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine?
The InChIKey is QVTPXWIGARGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)8-11(13-4)12-10(3)6-5-7-14-12/h5-8,11,13H,1-4H3.
What are the key properties of N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine?
N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine is sourced from PubChem (CID 79190959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).