3-methyl-N-(4-phenylbutyl)but-2-en-1-amine

C15H23N — CID 106546944

IUPAC3-methyl-N-(4-phenylbutyl)but-2-en-1-amine
SMILESCC(C)=CCNCCCCc1ccccc1
InChIInChI=1S/C15H23N/c1-14(2)11-13-16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3
InChIKeyFPLWJTAIEXSAAD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds7

About 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine

3-methyl-N-(4-phenylbutyl)but-2-en-1-amine (PubChem CID 106546944) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4-phenylbutyl)but-2-en-1-amine
PubChem CID106546944
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-methyl-N-(4-phenylbutyl)but-2-en-1-amine
SMILESCC(C)=CCNCCCCc1ccccc1
InChIInChI=1S/C15H23N/c1-14(2)11-13-16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3
InChIKeyFPLWJTAIEXSAAD-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-methylbut-2-en-1-amine;hydrobromide
CID 173401181
N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 131135869
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
(E)-4-chloro-N-(3-phenylpropyl)but-2-en-1-amine
CID 81429531
5-phenyl-N-propylpentan-1-amine
CID 62530615
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N'-(4-phenylbutyl)methanediamine;trihydrochloride
CID 140993872
N-(6-phenylhexyl)formamide
CID 25180077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine (CID 106546944) is 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine is CC(C)=CCNCCCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine?
The InChIKey is FPLWJTAIEXSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2)11-13-16-12-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3.
What are the key properties of 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine?
3-methyl-N-(4-phenylbutyl)but-2-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylbutyl)but-2-en-1-amine is sourced from PubChem (CID 106546944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).