cyclopenta-1,4-dien-1-ylmethanamine

C6H9N — CID 12062378

IUPACcyclopenta-1,4-dien-1-ylmethanamine
SMILESNCC1=CCC=C1
InChIInChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h1,3-4H,2,5,7H2
InChIKeyOAJOLMHJKJUWQJ-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.83
Rot. Bonds1

About cyclopenta-1,4-dien-1-ylmethanamine

cyclopenta-1,4-dien-1-ylmethanamine (PubChem CID 12062378) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylmethanamine.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylmethanamine
PubChem CID12062378
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Namecyclopenta-1,4-dien-1-ylmethanamine
SMILESNCC1=CCC=C1
InChIInChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h1,3-4H,2,5,7H2
InChIKeyOAJOLMHJKJUWQJ-UHFFFAOYSA-N
XLogP0.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylmethanamine?
The IUPAC name of cyclopenta-1,4-dien-1-ylmethanamine (CID 12062378) is cyclopenta-1,4-dien-1-ylmethanamine.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylmethanamine?
The canonical SMILES for cyclopenta-1,4-dien-1-ylmethanamine is NCC1=CCC=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-ylmethanamine?
The InChIKey is OAJOLMHJKJUWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h1,3-4H,2,5,7H2.
What are the key properties of cyclopenta-1,4-dien-1-ylmethanamine?
cyclopenta-1,4-dien-1-ylmethanamine has a molecular weight of 95.14 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylmethanamine is sourced from PubChem (CID 12062378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).