4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine

C16H25N — CID 79191073

IUPAC4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-5-10-17-16(11-13(2)3)12-15-8-6-14(4)7-9-15/h6-9,11,16-17H,5,10,12H2,1-4H3
InChIKeyIKHZUFWZLHCHFQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.87
Rot. Bonds6

About 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine

4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine (PubChem CID 79191073) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
PubChem CID79191073
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-5-10-17-16(11-13(2)3)12-15-8-6-14(4)7-9-15/h6-9,11,16-17H,5,10,12H2,1-4H3
InChIKeyIKHZUFWZLHCHFQ-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
CID 105163342
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
CID 79190966
1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 103759808
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79179710
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
CID 105004562
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine (CID 79191073) is 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)Cc1ccc(C)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine?
The InChIKey is IKHZUFWZLHCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-10-17-16(11-13(2)3)12-15-8-6-14(4)7-9-15/h6-9,11,16-17H,5,10,12H2,1-4H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine?
4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine is sourced from PubChem (CID 79191073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).