3-methyl-N-(methylideneamino)but-3-en-2-imine

C6H10N2 — CID 123420648

IUPAC3-methyl-N-(methylideneamino)but-3-en-2-imine
SMILESC=NN=C(C)C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-7-4/h1,4H2,2-3H3
InChIKeyYHSYWKOTOZOIRF-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About 3-methyl-N-(methylideneamino)but-3-en-2-imine

3-methyl-N-(methylideneamino)but-3-en-2-imine (PubChem CID 123420648) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methyl-N-(methylideneamino)but-3-en-2-imine.

Molecular Properties

Compound Name3-methyl-N-(methylideneamino)but-3-en-2-imine
PubChem CID123420648
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-methyl-N-(methylideneamino)but-3-en-2-imine
SMILESC=NN=C(C)C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-7-4/h1,4H2,2-3H3
InChIKeyYHSYWKOTOZOIRF-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(methylideneamino)but-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Buten-2-one, 3-methyl-, dimethylhydrazone
CID 9602605
Dimethylhydrazone methylisopropenylketone
CID 5370235
N-methyl-N-(3-methylbut-3-en-2-ylideneamino)methanamine
CID 573821
(Z)-3-methylbut-3-en-2-ylidenehydrazine
CID 58175980
3-Methylbut-3-en-2-ylidenehydrazine
CID 76715077
(Z)-4-methyl-N-(methylideneamino)pent-3-en-2-imine
CID 89410427
(Z)-N-[(Z)-ethylideneamino]-2-methylpent-1-en-3-imine
CID 117936245
2-Methylidenebutane-1,3-diimine
CID 123748427
(E)-N-[(E)-ethylideneamino]-2-methylpent-1-en-3-imine
CID 123831587
3-Methylbut-3-en-2-ylidene(methylidene)azanium
CID 124004847
ethane;(Z)-3-methyl-N-(methylideneamino)but-3-en-2-imine
CID 144164766
(Z)-3-methyl-N-(methylideneamino)but-3-en-2-imine
CID 144164767

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(methylideneamino)but-3-en-2-imine?
The IUPAC name of 3-methyl-N-(methylideneamino)but-3-en-2-imine (CID 123420648) is 3-methyl-N-(methylideneamino)but-3-en-2-imine.
What is the SMILES notation for 3-methyl-N-(methylideneamino)but-3-en-2-imine?
The canonical SMILES for 3-methyl-N-(methylideneamino)but-3-en-2-imine is C=NN=C(C)C(=C)C.
What is the InChIKey of 3-methyl-N-(methylideneamino)but-3-en-2-imine?
The InChIKey is YHSYWKOTOZOIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(3)8-7-4/h1,4H2,2-3H3.
What are the key properties of 3-methyl-N-(methylideneamino)but-3-en-2-imine?
3-methyl-N-(methylideneamino)but-3-en-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylideneamino)but-3-en-2-imine is sourced from PubChem (CID 123420648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).