3-(2-methylquinolin-4-yl)prop-2-en-1-amine

C13H14N2 — CID 79234972

IUPAC3-(2-methylquinolin-4-yl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)c2ccccc2n1
InChIInChI=1S/C13H14N2/c1-10-9-11(5-4-8-14)12-6-2-3-7-13(12)15-10/h2-7,9H,8,14H2,1H3
InChIKeyWKUQZFIUGRXHMY-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.52
Rot. Bonds2

About 3-(2-methylquinolin-4-yl)prop-2-en-1-amine

3-(2-methylquinolin-4-yl)prop-2-en-1-amine (PubChem CID 79234972) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-methylquinolin-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-4-yl)prop-2-en-1-amine
PubChem CID79234972
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-(2-methylquinolin-4-yl)prop-2-en-1-amine
SMILESCc1cc(C=CCN)c2ccccc2n1
InChIInChI=1S/C13H14N2/c1-10-9-11(5-4-8-14)12-6-2-3-7-13(12)15-10/h2-7,9H,8,14H2,1H3
InChIKeyWKUQZFIUGRXHMY-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-prop-1-enylquinoline
CID 73094462
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
CID 79324274
tert-butyl (E)-3-(2-methylquinolin-4-yl)prop-2-enoate
CID 11086802
2-methylquinolin-4-amine
CID 162035180
(E)-3-methyl-4-(2-methylquinolin-4-yl)but-3-en-2-ol
CID 103091314
(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
4-(3-chloroprop-2-enoxy)-2-methylquinoline
CID 165347693

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-4-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2-methylquinolin-4-yl)prop-2-en-1-amine (CID 79234972) is 3-(2-methylquinolin-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2-methylquinolin-4-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2-methylquinolin-4-yl)prop-2-en-1-amine is Cc1cc(C=CCN)c2ccccc2n1.
What is the InChIKey of 3-(2-methylquinolin-4-yl)prop-2-en-1-amine?
The InChIKey is WKUQZFIUGRXHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-9-11(5-4-8-14)12-6-2-3-7-13(12)15-10/h2-7,9H,8,14H2,1H3.
What are the key properties of 3-(2-methylquinolin-4-yl)prop-2-en-1-amine?
3-(2-methylquinolin-4-yl)prop-2-en-1-amine has a molecular weight of 198.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79234972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).