(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine

C18H24N2 — CID 103093547

IUPAC(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cc(C)nc2ccccc12
InChIInChI=1S/C18H24N2/c1-5-10-19-15(4)13(2)11-16-12-14(3)20-18-9-7-6-8-17(16)18/h6-9,11-12,15,19H,5,10H2,1-4H3/b13-11+
InChIKeyKQLXWGMJXSUPAR-ACCUITESSA-N
MW268.40 g/mol
LogP4.33
Rot. Bonds5

About (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine

(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine (PubChem CID 103093547) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine
PubChem CID103093547
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cc(C)nc2ccccc12
InChIInChI=1S/C18H24N2/c1-5-10-19-15(4)13(2)11-16-12-14(3)20-18-9-7-6-8-17(16)18/h6-9,11-12,15,19H,5,10H2,1-4H3/b13-11+
InChIKeyKQLXWGMJXSUPAR-ACCUITESSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-methyl-4-(2-methylquinolin-4-yl)but-3-en-2-ol
CID 103091314
4-(3-chloro-2-methylprop-1-enyl)-2-methylquinoline
CID 79324274
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093776
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
(E)-4-(2,4-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093699
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine (CID 103093547) is (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1cc(C)nc2ccccc12.
What is the InChIKey of (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine?
The InChIKey is KQLXWGMJXSUPAR-ACCUITESSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-10-19-15(4)13(2)11-16-12-14(3)20-18-9-7-6-8-17(16)18/h6-9,11-12,15,19H,5,10H2,1-4H3/b13-11+.
What are the key properties of (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine?
(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine has a molecular weight of 268.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).