3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane

C14H21N — CID 71216738

IUPAC3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2(C2=CCC(C)C=C2)C1
InChIInChI=1S/C14H21N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4,6-7,11,13H,3,5,8-10H2,1-2H3
InChIKeyCBNADCCDNZRMEC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.85
Rot. Bonds2

About 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane

3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 71216738) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID71216738
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2(C2=CCC(C)C=C2)C1
InChIInChI=1S/C14H21N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4,6-7,11,13H,3,5,8-10H2,1-2H3
InChIKeyCBNADCCDNZRMEC-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane (CID 71216738) is 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane is CCN1CC2CC2(C2=CCC(C)C=C2)C1.
What is the InChIKey of 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is CBNADCCDNZRMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4,6-7,11,13H,3,5,8-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane?
3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 203.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 71216738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).