ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine

C15H28N2 — CID 142266467

IUPACethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC.CCCN(CCC)C1=NC2CC2C(C)=C1
InChIInChI=1S/C13H22N2.C2H6/c1-4-6-15(7-5-2)13-8-10(3)11-9-12(11)14-13;1-2/h8,11-12H,4-7,9H2,1-3H3;1-2H3
InChIKeyWDAUBZZXCXPKGI-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.88
Rot. Bonds4

About ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine

ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 142266467) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID142266467
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC.CCCN(CCC)C1=NC2CC2C(C)=C1
InChIInChI=1S/C13H22N2.C2H6/c1-4-6-15(7-5-2)13-8-10(3)11-9-12(11)14-13;1-2/h8,11-12H,4-7,9H2,1-3H3;1-2H3
InChIKeyWDAUBZZXCXPKGI-UHFFFAOYSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine 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 ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 142266467) is ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine is CC.CCCN(CCC)C1=NC2CC2C(C)=C1.
What is the InChIKey of ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is WDAUBZZXCXPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-4-6-15(7-5-2)13-8-10(3)11-9-12(11)14-13;1-2/h8,11-12H,4-7,9H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine?
ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 236.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N,N-dipropyl-2-azabicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 142266467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).