2-but-2-enyliminoethanamine

C6H12N2 — CID 123576375

IUPAC2-but-2-enyliminoethanamine
SMILESCC=CC/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2?,8-6+
InChIKeyYNVGBSCNOVEUGH-NHPGJJICSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 2-but-2-enyliminoethanamine

2-but-2-enyliminoethanamine (PubChem CID 123576375) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-but-2-enyliminoethanamine.

Molecular Properties

Compound Name2-but-2-enyliminoethanamine
PubChem CID123576375
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-but-2-enyliminoethanamine
SMILESCC=CC/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2?,8-6+
InChIKeyYNVGBSCNOVEUGH-NHPGJJICSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-buta-2,3-dienyl-4-(propylideneamino)but-2-en-1-amine
CID 57296669
But-2-enylidene(methyl)azanium
CID 58771551
2-[(E)-but-2-enyl]iminoethanamine
CID 89368769
2-But-3-enyliminoethanamine
CID 90691802
3-(Ethylideneamino)prop-2-en-1-amine
CID 91265442
N'-methylbut-2-ene-1,4-diimine
CID 123167679
1-(Prop-2-enylideneamino)ethanamine
CID 123302521
N-but-2-enylethanimine
CID 123428692
1-(1-Aminoprop-2-enylimino)propan-2-amine
CID 123609442
6-Methyliminohex-2-en-1-amine
CID 123732613
2-(2-Methylprop-2-enylimino)ethanamine
CID 134408507
2-[(Z)-but-2-enyl]iminoethanimidoyl iodide
CID 134596202

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyliminoethanamine?
The IUPAC name of 2-but-2-enyliminoethanamine (CID 123576375) is 2-but-2-enyliminoethanamine.
What is the SMILES notation for 2-but-2-enyliminoethanamine?
The canonical SMILES for 2-but-2-enyliminoethanamine is CC=CC/N=C/CN.
What is the InChIKey of 2-but-2-enyliminoethanamine?
The InChIKey is YNVGBSCNOVEUGH-NHPGJJICSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2?,8-6+.
What are the key properties of 2-but-2-enyliminoethanamine?
2-but-2-enyliminoethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyliminoethanamine is sourced from PubChem (CID 123576375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).