(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine

C12H18N2 — CID 103092887

IUPAC(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1cnccc1C
InChIInChI=1S/C12H18N2/c1-9-5-6-14-8-12(9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+
InChIKeyUQZXZLUQUZSBAI-JXMROGBWSA-N
MW190.29 g/mol
LogP2.40
Rot. Bonds3

About (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine

(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine (PubChem CID 103092887) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
PubChem CID103092887
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1cnccc1C
InChIInChI=1S/C12H18N2/c1-9-5-6-14-8-12(9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+
InChIKeyUQZXZLUQUZSBAI-JXMROGBWSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
CID 103093164
(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093148
4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
CID 143600723
(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine
CID 103092916
(E)-2-amino-3-(4-methyl-3-pyridinyl)prop-2-enoic acid
CID 104830952
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092950
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
CID 134566553
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092939
(4-methyl-3-pyridinyl)methanimine
CID 89161625
N,3-dimethyl-1-(4-methyl-3-pyridinyl)but-3-en-1-amine
CID 114878157

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine?
The IUPAC name of (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine (CID 103092887) is (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine.
What is the SMILES notation for (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine?
The canonical SMILES for (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine is CNC(C)/C(C)=C/c1cnccc1C.
What is the InChIKey of (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine?
The InChIKey is UQZXZLUQUZSBAI-JXMROGBWSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-5-6-14-8-12(9)7-10(2)11(3)13-4/h5-8,11,13H,1-4H3/b10-7+.
What are the key properties of (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine?
(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine is sourced from PubChem (CID 103092887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).