3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine

C14H19N — CID 43632528

IUPAC3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C14H19N/c1-3-8-15-13-9-12(10-13)14-7-5-4-6-11(14)2/h3-7,12-13,15H,1,8-10H2,2H3
InChIKeyXZPSTOUQBIJBRW-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.02
Rot. Bonds4

About 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine

3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine (PubChem CID 43632528) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
PubChem CID43632528
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C14H19N/c1-3-8-15-13-9-12(10-13)14-7-5-4-6-11(14)2/h3-7,12-13,15H,1,8-10H2,2H3
InChIKeyXZPSTOUQBIJBRW-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.02
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

3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 113384097
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
3-(2-methylphenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529593

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine (CID 43632528) is 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine is C=CCNC1CC(c2ccccc2C)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is XZPSTOUQBIJBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-8-15-13-9-12(10-13)14-7-5-4-6-11(14)2/h3-7,12-13,15H,1,8-10H2,2H3.
What are the key properties of 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine?
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 43632528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).