N-ethenylbuta-1,3-dien-1-amine

C6H9N — CID 86260153

IUPACN-ethenylbuta-1,3-dien-1-amine
SMILESC=CC=CNC=C
InChIInChI=1S/C6H9N/c1-3-5-6-7-4-2/h3-7H,1-2H2
InChIKeyFMIYUKBRIPHXTI-UHFFFAOYSA-N
MW95.15 g/mol
LogP1.42
Rot. Bonds3

About N-ethenylbuta-1,3-dien-1-amine

N-ethenylbuta-1,3-dien-1-amine (PubChem CID 86260153) has the molecular formula C6H9N and a molecular weight of 95.15 g/mol. Its IUPAC name is N-ethenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethenylbuta-1,3-dien-1-amine
PubChem CID86260153
Molecular FormulaC6H9N
Molecular Weight95.15 g/mol
Exact Mass95.07
IUPAC NameN-ethenylbuta-1,3-dien-1-amine
SMILESC=CC=CNC=C
InChIInChI=1S/C6H9N/c1-3-5-6-7-4-2/h3-7H,1-2H2
InChIKeyFMIYUKBRIPHXTI-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.15
LogP ≤ 51.42
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 N-ethenylbuta-1,3-dien-1-amine?
The IUPAC name of N-ethenylbuta-1,3-dien-1-amine (CID 86260153) is N-ethenylbuta-1,3-dien-1-amine.
What is the SMILES notation for N-ethenylbuta-1,3-dien-1-amine?
The canonical SMILES for N-ethenylbuta-1,3-dien-1-amine is C=CC=CNC=C.
What is the InChIKey of N-ethenylbuta-1,3-dien-1-amine?
The InChIKey is FMIYUKBRIPHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-3-5-6-7-4-2/h3-7H,1-2H2.
What are the key properties of N-ethenylbuta-1,3-dien-1-amine?
N-ethenylbuta-1,3-dien-1-amine has a molecular weight of 95.15 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 86260153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).