2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine

C11H20N2 — CID 68886640

IUPAC2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=C(N)C=CC(N)C1(C)CC
InChIInChI=1S/C11H20N2/c1-4-8-9(12)6-7-10(13)11(8,3)5-2/h6-7,10H,4-5,12-13H2,1-3H3
InChIKeyHZCQWECPWDFSSL-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.92
Rot. Bonds2

About 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine

2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 68886640) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID68886640
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=C(N)C=CC(N)C1(C)CC
InChIInChI=1S/C11H20N2/c1-4-8-9(12)6-7-10(13)11(8,3)5-2/h6-7,10H,4-5,12-13H2,1-3H3
InChIKeyHZCQWECPWDFSSL-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine 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 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine (CID 68886640) is 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine is CCC1=C(N)C=CC(N)C1(C)CC.
What is the InChIKey of 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is HZCQWECPWDFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-8-9(12)6-7-10(13)11(8,3)5-2/h6-7,10H,4-5,12-13H2,1-3H3.
What are the key properties of 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine?
2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 180.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-3-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 68886640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).