3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine

C18H24N2 — CID 114755354

IUPAC3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H24N2/c1-5-10-19-17(11-13(2)3)18-12-14(4)15-8-6-7-9-16(15)20-18/h6-9,12,17,19H,2,5,10-11H2,1,3-4H3
InChIKeyHGFZHQUFAMAIAS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.55
Rot. Bonds6

About 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine

3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 114755354) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
PubChem CID114755354
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H24N2/c1-5-10-19-17(11-13(2)3)18-12-14(4)15-8-6-7-9-16(15)20-18/h6-9,12,17,19H,2,5,10-11H2,1,3-4H3
InChIKeyHGFZHQUFAMAIAS-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.55
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

3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine
CID 114755324
[4-methyl-1-(4-methylquinolin-2-yl)pent-4-enyl]hydrazine
CID 105279669
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003795
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163107
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
N-[1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 175073880
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
1-(2-tert-butylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine (CID 114755354) is 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)c1cc(C)c2ccccc2n1.
What is the InChIKey of 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is HGFZHQUFAMAIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-10-19-17(11-13(2)3)18-12-14(4)15-8-6-7-9-16(15)20-18/h6-9,12,17,19H,2,5,10-11H2,1,3-4H3.
What are the key properties of 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine?
3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 114755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).