3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine

C16H23N — CID 104530209

IUPAC3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
SMILESC=CCC(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H23N/c1-4-6-13(3)17-16-10-15(11-16)14-8-5-7-12(2)9-14/h4-5,7-9,13,15-17H,1,6,10-11H2,2-3H3
InChIKeyZHLBROPDJCHYOE-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.80
Rot. Bonds5

About 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine

3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine (PubChem CID 104530209) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
PubChem CID104530209
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
SMILESC=CCC(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H23N/c1-4-6-13(3)17-16-10-15(11-16)14-8-5-7-12(2)9-14/h4-5,7-9,13,15-17H,1,6,10-11H2,2-3H3
InChIKeyZHLBROPDJCHYOE-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.80
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

2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 103106978

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine (CID 104530209) is 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine is C=CCC(C)NC1CC(c2cccc(C)c2)C1.
What is the InChIKey of 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine?
The InChIKey is ZHLBROPDJCHYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-6-13(3)17-16-10-15(11-16)14-8-5-7-12(2)9-14/h4-5,7-9,13,15-17H,1,6,10-11H2,2-3H3.
What are the key properties of 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine?
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine is sourced from PubChem (CID 104530209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).