N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine

C13H24N2 — CID 143795756

IUPACN'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)C1=C(C)CC(C)C=C1
InChIInChI=1S/C13H24N2/c1-5-15(9-8-14-4)13-7-6-11(2)10-12(13)3/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyHJZXGIMEHOYITB-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.40
Rot. Bonds5

About N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine

N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 143795756) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID143795756
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCN(CCNC)C1=C(C)CC(C)C=C1
InChIInChI=1S/C13H24N2/c1-5-15(9-8-14-4)13-7-6-11(2)10-12(13)3/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyHJZXGIMEHOYITB-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-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 N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine (CID 143795756) is N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine is CCN(CCNC)C1=C(C)CC(C)C=C1.
What is the InChIKey of N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is HJZXGIMEHOYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-15(9-8-14-4)13-7-6-11(2)10-12(13)3/h6-7,11,14H,5,8-10H2,1-4H3.
What are the key properties of N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine?
N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 143795756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).