3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine

C15H20ClN — CID 104530229

IUPAC3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
SMILESC/C=C/CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h2-3,5-8,13,15,17H,4,9-11H2,1H3/b3-2+
InChIKeyKAYIEUFGDCOIOE-NSCUHMNNSA-N
MW249.78 g/mol
LogP4.14
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine

3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine (PubChem CID 104530229) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
PubChem CID104530229
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
SMILESC/C=C/CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h2-3,5-8,13,15,17H,4,9-11H2,1H3/b3-2+
InChIKeyKAYIEUFGDCOIOE-NSCUHMNNSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.14
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

3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
N-(2-but-3-enoxyethyl)-3-(4-chlorophenyl)cyclobutan-1-amine
CID 104530451
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine (CID 104530229) is 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine is C/C=C/CCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine?
The InChIKey is KAYIEUFGDCOIOE-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H20ClN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h2-3,5-8,13,15,17H,4,9-11H2,1H3/b3-2+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine has a molecular weight of 249.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine is sourced from PubChem (CID 104530229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).