2-ethylcyclopenta-1,3-dien-1-amine

C7H11N — CID 67050856

IUPAC2-ethylcyclopenta-1,3-dien-1-amine
SMILESCCC1=C(N)CC=C1
InChIInChI=1S/C7H11N/c1-2-6-4-3-5-7(6)8/h3-4H,2,5,8H2,1H3
InChIKeyIRRFODMJHHAHOS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.57
Rot. Bonds1

About 2-ethylcyclopenta-1,3-dien-1-amine

2-ethylcyclopenta-1,3-dien-1-amine (PubChem CID 67050856) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-dien-1-amine
PubChem CID67050856
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-ethylcyclopenta-1,3-dien-1-amine
SMILESCCC1=C(N)CC=C1
InChIInChI=1S/C7H11N/c1-2-6-4-3-5-7(6)8/h3-4H,2,5,8H2,1H3
InChIKeyIRRFODMJHHAHOS-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 2-ethylcyclopenta-1,3-dien-1-amine (CID 67050856) is 2-ethylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 2-ethylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 2-ethylcyclopenta-1,3-dien-1-amine is CCC1=C(N)CC=C1.
What is the InChIKey of 2-ethylcyclopenta-1,3-dien-1-amine?
The InChIKey is IRRFODMJHHAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6-4-3-5-7(6)8/h3-4H,2,5,8H2,1H3.
What are the key properties of 2-ethylcyclopenta-1,3-dien-1-amine?
2-ethylcyclopenta-1,3-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 67050856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).