(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine

C14H16N2 — CID 103091924

IUPAC(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine
SMILESC/C(=C\c1ccnc2ccccc12)C(C)N
InChIInChI=1S/C14H16N2/c1-10(11(2)15)9-12-7-8-16-14-6-4-3-5-13(12)14/h3-9,11H,15H2,1-2H3/b10-9+
InChIKeyCHMCQYGTPJKVEX-MDZDMXLPSA-N
MW212.30 g/mol
LogP2.99
Rot. Bonds2

About (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine

(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine (PubChem CID 103091924) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine
PubChem CID103091924
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine
SMILESC/C(=C\c1ccnc2ccccc12)C(C)N
InChIInChI=1S/C14H16N2/c1-10(11(2)15)9-12-7-8-16-14-6-4-3-5-13(12)14/h3-9,11H,15H2,1-2H3/b10-9+
InChIKeyCHMCQYGTPJKVEX-MDZDMXLPSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-fluoroprop-1-enyl]quinoline
CID 173227101
3-methyl-2-(quinolin-4-ylmethylidene)butanal
CID 79335656
N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
N-methyl-1-quinolin-4-ylmethanimine oxide
CID 6253940
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-quinolin-4-ylprop-2-enamide
CID 24992577
methyl 2-cyano-3-quinolin-4-ylprop-2-enoate
CID 91169635

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine (CID 103091924) is (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine is C/C(=C\c1ccnc2ccccc12)C(C)N.
What is the InChIKey of (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine?
The InChIKey is CHMCQYGTPJKVEX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16N2/c1-10(11(2)15)9-12-7-8-16-14-6-4-3-5-13(12)14/h3-9,11H,15H2,1-2H3/b10-9+.
What are the key properties of (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine?
(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine has a molecular weight of 212.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-quinolin-4-ylbut-3-en-2-amine is sourced from PubChem (CID 103091924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).