1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine

C16H25N — CID 105004562

IUPAC1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-6-7-17-16(8-12(2)3)15-10-13(4)9-14(5)11-15/h8-11,16-17H,6-7H2,1-5H3
InChIKeyWDVSTWDAZBQZPU-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.31
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine

1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine (PubChem CID 105004562) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
PubChem CID105004562
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-6-7-17-16(8-12(2)3)15-10-13(4)9-14(5)11-15/h8-11,16-17H,6-7H2,1-5H3
InChIKeyWDVSTWDAZBQZPU-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-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

1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79189524
3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine
CID 105163351
1-(5-chlorofuran-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 106692487
4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
CID 79191073
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812
1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79712711
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-N-propylbut-2-en-1-amine
CID 79190420
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190181
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
N-[1-(3,5-dimethylphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 106180105

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine (CID 105004562) is 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine is CCCNC(C=C(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine?
The InChIKey is WDVSTWDAZBQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-7-17-16(8-12(2)3)15-10-13(4)9-14(5)11-15/h8-11,16-17H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine?
1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine is sourced from PubChem (CID 105004562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).