N-(3-methylbut-3-en-2-ylidene)methanimidamide

C6H10N2 — CID 90127063

IUPACN-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILES[H]/N=C/N=C(\C)C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4,7H,1H2,2-3H3/b7-4+,8-6+
InChIKeyGGFOPPDWXBXFKD-IJYBVRAASA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About N-(3-methylbut-3-en-2-ylidene)methanimidamide

N-(3-methylbut-3-en-2-ylidene)methanimidamide (PubChem CID 90127063) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-ylidene)methanimidamide
PubChem CID90127063
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILES[H]/N=C/N=C(\C)C(=C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4,7H,1H2,2-3H3/b7-4+,8-6+
InChIKeyGGFOPPDWXBXFKD-IJYBVRAASA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(3-methylbut-3-en-2-ylidene)methanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The IUPAC name of N-(3-methylbut-3-en-2-ylidene)methanimidamide (CID 90127063) is N-(3-methylbut-3-en-2-ylidene)methanimidamide.
What is the SMILES notation for N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The canonical SMILES for N-(3-methylbut-3-en-2-ylidene)methanimidamide is [H]/N=C/N=C(\C)C(=C)C.
What is the InChIKey of N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The InChIKey is GGFOPPDWXBXFKD-IJYBVRAASA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(3)8-4-7/h4,7H,1H2,2-3H3/b7-4+,8-6+.
What are the key properties of N-(3-methylbut-3-en-2-ylidene)methanimidamide?
N-(3-methylbut-3-en-2-ylidene)methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-en-2-ylidene)methanimidamide is sourced from PubChem (CID 90127063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).