N-(2-iminoethyl)but-3-en-2-imine

C6H10N2 — CID 123835332

IUPACN-(2-iminoethyl)but-3-en-2-imine
SMILES[H]/N=C/C/N=C(\C)C=C
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-4,7H,1,5H2,2H3/b7-4+,8-6+
InChIKeyQMORWTVMFNXURA-IJYBVRAASA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds3

About N-(2-iminoethyl)but-3-en-2-imine

N-(2-iminoethyl)but-3-en-2-imine (PubChem CID 123835332) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-(2-iminoethyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(2-iminoethyl)but-3-en-2-imine
PubChem CID123835332
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-(2-iminoethyl)but-3-en-2-imine
SMILES[H]/N=C/C/N=C(\C)C=C
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-4,7H,1,5H2,2H3/b7-4+,8-6+
InChIKeyQMORWTVMFNXURA-IJYBVRAASA-N
XLogP1.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
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

(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157
N'-but-3-en-2-ylethane-1,2-diimine
CID 118123151
(Z)-1-N-methylpent-2-ene-1,4-diimine
CID 118133026
(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
CID 118403896
N-(2-methyliminoethyl)but-3-en-2-imine
CID 118457270
1-N-methylpent-4-ene-1,3-diimine
CID 123174585
(Z)-1-N-methylpent-3-ene-1,2-diimine
CID 123260157
(Z)-4-N-methylidenebut-3-ene-2,4-diimine
CID 123346394
N-(2-iminopropyl)but-3-en-2-imine
CID 123357717
N-propylbut-3-en-2-imine
CID 123402465

Frequently Asked Questions

What is the IUPAC name of N-(2-iminoethyl)but-3-en-2-imine?
The IUPAC name of N-(2-iminoethyl)but-3-en-2-imine (CID 123835332) is N-(2-iminoethyl)but-3-en-2-imine.
What is the SMILES notation for N-(2-iminoethyl)but-3-en-2-imine?
The canonical SMILES for N-(2-iminoethyl)but-3-en-2-imine is [H]/N=C/C/N=C(\C)C=C.
What is the InChIKey of N-(2-iminoethyl)but-3-en-2-imine?
The InChIKey is QMORWTVMFNXURA-IJYBVRAASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-4,7H,1,5H2,2H3/b7-4+,8-6+.
What are the key properties of N-(2-iminoethyl)but-3-en-2-imine?
N-(2-iminoethyl)but-3-en-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)but-3-en-2-imine is sourced from PubChem (CID 123835332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).