N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

C19H27N — CID 43634072

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCCC2=CCCCC2)C1
InChIInChI=1S/C19H27N/c1-15-7-5-6-10-19(15)17-13-18(14-17)20-12-11-16-8-3-2-4-9-16/h5-8,10,17-18,20H,2-4,9,11-14H2,1H3
InChIKeyBMQFJQCETFEHIC-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.72
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43634072) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43634072
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCCC2=CCCCC2)C1
InChIInChI=1S/C19H27N/c1-15-7-5-6-10-19(15)17-13-18(14-17)20-12-11-16-8-3-2-4-9-16/h5-8,10,17-18,20H,2-4,9,11-14H2,1H3
InChIKeyBMQFJQCETFEHIC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.72
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

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 43634059
N-[2-(cyclohexen-1-yl)ethyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43766388
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54914303
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821906

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (CID 43634072) is N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is BMQFJQCETFEHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-15-7-5-6-10-19(15)17-13-18(14-17)20-12-11-16-8-3-2-4-9-16/h5-8,10,17-18,20H,2-4,9,11-14H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).