1-(prop-2-enylideneamino)ethanamine

C5H10N2 — CID 123302521

IUPAC1-(prop-2-enylideneamino)ethanamine
SMILESC=CC=NC(C)N
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3-5H,1,6H2,2H3
InChIKeyMFPJQUPXBKFYIC-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds2

About 1-(prop-2-enylideneamino)ethanamine

1-(prop-2-enylideneamino)ethanamine (PubChem CID 123302521) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-(prop-2-enylideneamino)ethanamine.

Molecular Properties

Compound Name1-(prop-2-enylideneamino)ethanamine
PubChem CID123302521
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-(prop-2-enylideneamino)ethanamine
SMILESC=CC=NC(C)N
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3-5H,1,6H2,2H3
InChIKeyMFPJQUPXBKFYIC-UHFFFAOYSA-N
XLogP0.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl(prop-2-enylidene)azanium
CID 137300492
But-2-enylidene(methyl)azanium
CID 58771551
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
3-Methyliminoprop-1-en-1-amine
CID 72522918
2-(Prop-2-enylideneamino)propan-1-amine
CID 88877732
(Z)-3-propyliminoprop-1-en-1-amine
CID 88976127
2-[(E)-but-2-enyl]iminoethanamine
CID 89368769
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
2-But-3-enyliminoethanamine
CID 90691802
N-prop-2-enylideneethanimidamide
CID 91263014
N-(2-iminoethyl)prop-2-en-1-imine
CID 91371599
N'-methylbut-2-ene-1,4-diimine
CID 123167679

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylideneamino)ethanamine?
The IUPAC name of 1-(prop-2-enylideneamino)ethanamine (CID 123302521) is 1-(prop-2-enylideneamino)ethanamine.
What is the SMILES notation for 1-(prop-2-enylideneamino)ethanamine?
The canonical SMILES for 1-(prop-2-enylideneamino)ethanamine is C=CC=NC(C)N.
What is the InChIKey of 1-(prop-2-enylideneamino)ethanamine?
The InChIKey is MFPJQUPXBKFYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3-5H,1,6H2,2H3.
What are the key properties of 1-(prop-2-enylideneamino)ethanamine?
1-(prop-2-enylideneamino)ethanamine has a molecular weight of 98.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylideneamino)ethanamine is sourced from PubChem (CID 123302521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).