1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine

C13H23N — CID 67629408

IUPAC1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
SMILESCCC1(N(C)C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H23N/c1-8-13(14(6)7)11(4)9(2)10(3)12(13)5/h8H2,1-7H3
InChIKeyBDWQPCCFZMPHMK-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds2

About 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine

1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine (PubChem CID 67629408) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
PubChem CID67629408
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
SMILESCCC1(N(C)C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H23N/c1-8-13(14(6)7)11(4)9(2)10(3)12(13)5/h8H2,1-7H3
InChIKeyBDWQPCCFZMPHMK-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-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 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine (CID 67629408) is 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine is CCC1(N(C)C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine?
The InChIKey is BDWQPCCFZMPHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8-13(14(6)7)11(4)9(2)10(3)12(13)5/h8H2,1-7H3.
What are the key properties of 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine?
1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 67629408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).