N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine

C10H17N — CID 89336557

IUPACN-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCC(C)C=C1C
InChIInChI=1S/C10H17N/c1-4-11-10-6-5-8(2)7-9(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyHHVYWYVDHDKXCR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.47
Rot. Bonds2

About N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine

N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 89336557) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID89336557
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCC(C)C=C1C
InChIInChI=1S/C10H17N/c1-4-11-10-6-5-8(2)7-9(10)3/h6-8,11H,4-5H2,1-3H3
InChIKeyHHVYWYVDHDKXCR-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-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 N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine (CID 89336557) is N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine is CCNC1=CCC(C)C=C1C.
What is the InChIKey of N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is HHVYWYVDHDKXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-11-10-6-5-8(2)7-9(10)3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine?
N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89336557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).