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

C7H12N2 — CID 118457270

IUPACN-(2-methyliminoethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/C/C=N/C
InChIInChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-5H,1,6H2,2-3H3/b8-5+,9-7+
InChIKeySWTSPHPKKFOACN-OCIXRKKMSA-N
MW124.19 g/mol
LogP1.33
Rot. Bonds3

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

N-(2-methyliminoethyl)but-3-en-2-imine (PubChem CID 118457270) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(2-methyliminoethyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(2-methyliminoethyl)but-3-en-2-imine
PubChem CID118457270
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(2-methyliminoethyl)but-3-en-2-imine
SMILESC=C/C(C)=N/C/C=N/C
InChIInChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-5H,1,6H2,2-3H3/b8-5+,9-7+
InChIKeySWTSPHPKKFOACN-OCIXRKKMSA-N
XLogP1.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyliminoethyl)but-3-en-2-imine?
The IUPAC name of N-(2-methyliminoethyl)but-3-en-2-imine (CID 118457270) is N-(2-methyliminoethyl)but-3-en-2-imine.
What is the SMILES notation for N-(2-methyliminoethyl)but-3-en-2-imine?
The canonical SMILES for N-(2-methyliminoethyl)but-3-en-2-imine is C=C/C(C)=N/C/C=N/C.
What is the InChIKey of N-(2-methyliminoethyl)but-3-en-2-imine?
The InChIKey is SWTSPHPKKFOACN-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(2)9-6-5-8-3/h4-5H,1,6H2,2-3H3/b8-5+,9-7+.
What are the key properties of N-(2-methyliminoethyl)but-3-en-2-imine?
N-(2-methyliminoethyl)but-3-en-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyliminoethyl)but-3-en-2-imine is sourced from PubChem (CID 118457270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).