N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine

C15H19N — CID 43764534

IUPACN-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCCc1ccccc1NC1CC2CC=CC21
InChIInChI=1S/C15H19N/c1-2-11-6-3-4-9-14(11)16-15-10-12-7-5-8-13(12)15/h3-6,8-9,12-13,15-16H,2,7,10H2,1H3
InChIKeyXETAJSBTTGQITK-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.63
Rot. Bonds3

About N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43764534) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43764534
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCCc1ccccc1NC1CC2CC=CC21
InChIInChI=1S/C15H19N/c1-2-11-6-3-4-9-14(11)16-15-10-12-7-5-8-13(12)15/h3-6,8-9,12-13,15-16H,2,7,10H2,1H3
InChIKeyXETAJSBTTGQITK-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43789856
N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43772895
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541
N-(4-bromo-2,3-dichlorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 114001599
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43760539
(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 59867302
N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43764536
3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N,4-trimethylbenzamide
CID 43783528

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43764534) is N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine is CCc1ccccc1NC1CC2CC=CC21.
What is the InChIKey of N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is XETAJSBTTGQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-11-6-3-4-9-14(11)16-15-10-12-7-5-8-13(12)15/h3-6,8-9,12-13,15-16H,2,7,10H2,1H3.
What are the key properties of N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 213.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43764534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).