cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine

C8H14N2 — CID 68781902

IUPACcyclopenta-1,3-dien-1-amine;prop-2-en-1-amine
SMILESC=CCN.NC1=CC=CC1
InChIInChI=1S/C5H7N.C3H7N/c6-5-3-1-2-4-5;1-2-3-4/h1-3H,4,6H2;2H,1,3-4H2
InChIKeyAOQLWERCDLAWEY-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.92
Rot. Bonds1

About cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine

cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine (PubChem CID 68781902) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-amine;prop-2-en-1-amine
PubChem CID68781902
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namecyclopenta-1,3-dien-1-amine;prop-2-en-1-amine
SMILESC=CCN.NC1=CC=CC1
InChIInChI=1S/C5H7N.C3H7N/c6-5-3-1-2-4-5;1-2-3-4/h1-3H,4,6H2;2H,1,3-4H2
InChIKeyAOQLWERCDLAWEY-UHFFFAOYSA-N
XLogP0.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine?
The IUPAC name of cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine (CID 68781902) is cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine.
What is the SMILES notation for cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine?
The canonical SMILES for cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine is C=CCN.NC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine?
The InChIKey is AOQLWERCDLAWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C3H7N/c6-5-3-1-2-4-5;1-2-3-4/h1-3H,4,6H2;2H,1,3-4H2.
What are the key properties of cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine?
cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-amine;prop-2-en-1-amine is sourced from PubChem (CID 68781902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).