penta-1,2,3-trien-1-amine

C5H7N — CID 162683172

IUPACpenta-1,2,3-trien-1-amine
SMILESCC=C=C=CN
InChIInChI=1S/C5H7N/c1-2-3-4-5-6/h2,5H,6H2,1H3/b5-2+
InChIKeyBLVGJESAAWQWNY-GORDUTHDSA-N
MW81.12 g/mol
LogP0.79
Rot. Bonds

About penta-1,2,3-trien-1-amine

penta-1,2,3-trien-1-amine (PubChem CID 162683172) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is penta-1,2,3-trien-1-amine.

Molecular Properties

Compound Namepenta-1,2,3-trien-1-amine
PubChem CID162683172
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Namepenta-1,2,3-trien-1-amine
SMILESCC=C=C=CN
InChIInChI=1S/C5H7N/c1-2-3-4-5-6/h2,5H,6H2,1H3/b5-2+
InChIKeyBLVGJESAAWQWNY-GORDUTHDSA-N
XLogP0.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of penta-1,2,3-trien-1-amine?
The IUPAC name of penta-1,2,3-trien-1-amine (CID 162683172) is penta-1,2,3-trien-1-amine.
What is the SMILES notation for penta-1,2,3-trien-1-amine?
The canonical SMILES for penta-1,2,3-trien-1-amine is CC=C=C=CN.
What is the InChIKey of penta-1,2,3-trien-1-amine?
The InChIKey is BLVGJESAAWQWNY-GORDUTHDSA-N. The full InChI is InChI=1S/C5H7N/c1-2-3-4-5-6/h2,5H,6H2,1H3/b5-2+.
What are the key properties of penta-1,2,3-trien-1-amine?
penta-1,2,3-trien-1-amine has a molecular weight of 81.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,2,3-trien-1-amine is sourced from PubChem (CID 162683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).