N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide

C7H12N2 — CID 130348784

IUPACN'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,4H2,1-3H3/b9-5+
InChIKeyILIDTLHIXCZJCO-WEVVVXLNSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds2

About N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide

N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide (PubChem CID 130348784) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide
PubChem CID130348784
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,4H2,1-3H3/b9-5+
InChIKeyILIDTLHIXCZJCO-WEVVVXLNSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide (CID 130348784) is N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide is C=N/C=N/C(C)=C(C)C.
What is the InChIKey of N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide?
The InChIKey is ILIDTLHIXCZJCO-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,4H2,1-3H3/b9-5+.
What are the key properties of N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide?
N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide is sourced from PubChem (CID 130348784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).