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

C11H20N2 — CID 20476288

IUPAC1,4-diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCCC1=C(C(C(C=C1)(CC)N)C)N
InChIInChI=1S/C11H20N2/c1-4-9-6-7-11(13,5-2)8(3)10(9)12/h6-8H,4-5,12-13H2,1-3H3
InChIKeyDKCAWSVQJGQJBJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.20
Rot. Bonds2

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

1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 20476288) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,4-diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine
PubChem CID20476288
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,4-diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCCC1=C(C(C(C=C1)(CC)N)C)N
InChIInChI=1S/C11H20N2/c1-4-9-6-7-11(13,5-2)8(3)10(9)12/h6-8H,4-5,12-13H2,1-3H3
InChIKeyDKCAWSVQJGQJBJ-UHFFFAOYSA-N
XLogP1.20
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity253

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-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 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine (CID 20476288) is 1,4-diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine is CCC1=C(C(C(C=C1)(CC)N)C)N.
What is the InChIKey of 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is DKCAWSVQJGQJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9-6-7-11(13,5-2)8(3)10(9)12/h6-8H,4-5,12-13H2,1-3H3.
What are the key properties of 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine?
1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 20476288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).