N-ethenyl-2-iminoethanamine

C4H8N2 — CID 143034451

IUPACN-ethenyl-2-iminoethanamine
SMILES[H]/N=C/CNC=C
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5-6H,1,4H2/b5-3+
InChIKeyHSPFIIDPMPCFRT-HWKANZROSA-N
MW84.12 g/mol
LogP0.37
Rot. Bonds3

About N-ethenyl-2-iminoethanamine

N-ethenyl-2-iminoethanamine (PubChem CID 143034451) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N-ethenyl-2-iminoethanamine.

Molecular Properties

Compound NameN-ethenyl-2-iminoethanamine
PubChem CID143034451
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN-ethenyl-2-iminoethanamine
SMILES[H]/N=C/CNC=C
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5-6H,1,4H2/b5-3+
InChIKeyHSPFIIDPMPCFRT-HWKANZROSA-N
XLogP0.37
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane-1,3-diimine
CID 18934492
hex-5-en-1-imine
CID 57150072
2-imino-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 57145495
(3Z)-hexa-3,5-dien-1-imine
CID 91265074
2-trimethylsilylethanimine
CID 59906390
N-ethenyl-2-imino-N-methylethanamine
CID 90933998
N-[(ethenylamino)methyl]-2-iminobut-3-enamide
CID 167136711
propane;propan-1-imine
CID 175287004
propane;propane-1,3-diimine
CID 142057441
hexane-1,6-diimine;hydrochloride
CID 175422205
N-ethyl-4-iminobutan-1-amine
CID 155382614
(2S)-2-(2-iminoethylamino)butanedioic acid
CID 175334286

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-iminoethanamine?
The IUPAC name of N-ethenyl-2-iminoethanamine (CID 143034451) is N-ethenyl-2-iminoethanamine.
What is the SMILES notation for N-ethenyl-2-iminoethanamine?
The canonical SMILES for N-ethenyl-2-iminoethanamine is [H]/N=C/CNC=C.
What is the InChIKey of N-ethenyl-2-iminoethanamine?
The InChIKey is HSPFIIDPMPCFRT-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5-6H,1,4H2/b5-3+.
What are the key properties of N-ethenyl-2-iminoethanamine?
N-ethenyl-2-iminoethanamine has a molecular weight of 84.12 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-iminoethanamine is sourced from PubChem (CID 143034451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).