2-but-3-enyliminoethanamine

C6H12N2 — CID 90691802

IUPAC2-but-3-enyliminoethanamine
SMILESC=CCC/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2,6H,1,3-5,7H2/b8-6+
InChIKeyLNWWMUGVEVWDQN-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds4

About 2-but-3-enyliminoethanamine

2-but-3-enyliminoethanamine (PubChem CID 90691802) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-but-3-enyliminoethanamine.

Molecular Properties

Compound Name2-but-3-enyliminoethanamine
PubChem CID90691802
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-but-3-enyliminoethanamine
SMILESC=CCC/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2,6H,1,3-5,7H2/b8-6+
InChIKeyLNWWMUGVEVWDQN-SOFGYWHQSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(undec-10-enylideneamino)ethanamine
CID 121341438
N-methyl-N'-prop-2-enylidenepropane-1,3-diimine
CID 142446042
(3Z)-N-but-3-enyl-3-ethenyl-6-methylhepta-3,5-dien-1-imine
CID 134526419
azane;prop-2-en-1-amine;hydrochloride
CID 174769077
prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
ethenone;prop-2-en-1-amine
CID 173182769
4-(3-aminopropylimino)butan-1-amine
CID 23657850
N-but-3-enyl-1-(2-ethenylphenyl)methanimine
CID 167149734
prop-2-en-1-amine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87783946
fluoromethane;prop-2-en-1-amine
CID 173426164
2-(3-dihydroxyphosphinothioyloxypropylimino)ethanamine
CID 57139319
cyclohexane;bis(prop-2-en-1-amine)
CID 67816454

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyliminoethanamine?
The IUPAC name of 2-but-3-enyliminoethanamine (CID 90691802) is 2-but-3-enyliminoethanamine.
What is the SMILES notation for 2-but-3-enyliminoethanamine?
The canonical SMILES for 2-but-3-enyliminoethanamine is C=CCC/N=C/CN.
What is the InChIKey of 2-but-3-enyliminoethanamine?
The InChIKey is LNWWMUGVEVWDQN-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2,6H,1,3-5,7H2/b8-6+.
What are the key properties of 2-but-3-enyliminoethanamine?
2-but-3-enyliminoethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyliminoethanamine is sourced from PubChem (CID 90691802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).