buta-2,3-dien-1-amine

C4H7N — CID 10329243

IUPACbuta-2,3-dien-1-amine
SMILESC=C=CCN
InChIInChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2
InChIKeyJCWPPNJQFKFPKA-UHFFFAOYSA-N
MW69.11 g/mol
LogP0.29
Rot. Bonds1

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

buta-2,3-dien-1-amine (PubChem CID 10329243) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is buta-2,3-dien-1-amine.

Molecular Properties

Compound Namebuta-2,3-dien-1-amine
PubChem CID10329243
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC Namebuta-2,3-dien-1-amine
SMILESC=C=CCN
InChIInChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2
InChIKeyJCWPPNJQFKFPKA-UHFFFAOYSA-N
XLogP0.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of buta-2,3-dien-1-amine?
The IUPAC name of buta-2,3-dien-1-amine (CID 10329243) is buta-2,3-dien-1-amine.
What is the SMILES notation for buta-2,3-dien-1-amine?
The canonical SMILES for buta-2,3-dien-1-amine is C=C=CCN.
What is the InChIKey of buta-2,3-dien-1-amine?
The InChIKey is JCWPPNJQFKFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2.
What are the key properties of buta-2,3-dien-1-amine?
buta-2,3-dien-1-amine has a molecular weight of 69.11 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dien-1-amine is sourced from PubChem (CID 10329243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).