penta-1,3-dien-1-amine

C5H9N — CID 59750537

IUPACpenta-1,3-dien-1-amine
SMILESCC=CC=CN
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2-5H,6H2,1H3
InChIKeyFJNLGRCWQZQBSR-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.03
Rot. Bonds1

About penta-1,3-dien-1-amine

penta-1,3-dien-1-amine (PubChem CID 59750537) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is penta-1,3-dien-1-amine.

Molecular Properties

Compound Namepenta-1,3-dien-1-amine
PubChem CID59750537
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namepenta-1,3-dien-1-amine
SMILESCC=CC=CN
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2-5H,6H2,1H3
InChIKeyFJNLGRCWQZQBSR-UHFFFAOYSA-N
XLogP1.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of penta-1,3-dien-1-amine?
The IUPAC name of penta-1,3-dien-1-amine (CID 59750537) is penta-1,3-dien-1-amine.
What is the SMILES notation for penta-1,3-dien-1-amine?
The canonical SMILES for penta-1,3-dien-1-amine is CC=CC=CN.
What is the InChIKey of penta-1,3-dien-1-amine?
The InChIKey is FJNLGRCWQZQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-4-5-6/h2-5H,6H2,1H3.
What are the key properties of penta-1,3-dien-1-amine?
penta-1,3-dien-1-amine has a molecular weight of 83.13 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,3-dien-1-amine is sourced from PubChem (CID 59750537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).