N-(2,2-dimethylbut-3-enylidene)methanimidamide

C7H12N2 — CID 153402093

IUPACN-(2,2-dimethylbut-3-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C(C)(C)C=C
InChIInChI=1S/C7H12N2/c1-4-7(2,3)5-9-6-8/h4-6,8H,1H2,2-3H3/b8-6+,9-5+
InChIKeyRHLGQSSQNXNDMO-RFSWUZDDSA-N
MW124.19 g/mol
LogP1.88
Rot. Bonds3

About N-(2,2-dimethylbut-3-enylidene)methanimidamide

N-(2,2-dimethylbut-3-enylidene)methanimidamide (PubChem CID 153402093) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(2,2-dimethylbut-3-enylidene)methanimidamide.

Molecular Properties

Compound NameN-(2,2-dimethylbut-3-enylidene)methanimidamide
PubChem CID153402093
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(2,2-dimethylbut-3-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C(C)(C)C=C
InChIInChI=1S/C7H12N2/c1-4-7(2,3)5-9-6-8/h4-6,8H,1H2,2-3H3/b8-6+,9-5+
InChIKeyRHLGQSSQNXNDMO-RFSWUZDDSA-N
XLogP1.88
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbut-3-enylidene)methanimidamide?
The IUPAC name of N-(2,2-dimethylbut-3-enylidene)methanimidamide (CID 153402093) is N-(2,2-dimethylbut-3-enylidene)methanimidamide.
What is the SMILES notation for N-(2,2-dimethylbut-3-enylidene)methanimidamide?
The canonical SMILES for N-(2,2-dimethylbut-3-enylidene)methanimidamide is [H]/N=C/N=C/C(C)(C)C=C.
What is the InChIKey of N-(2,2-dimethylbut-3-enylidene)methanimidamide?
The InChIKey is RHLGQSSQNXNDMO-RFSWUZDDSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(2,3)5-9-6-8/h4-6,8H,1H2,2-3H3/b8-6+,9-5+.
What are the key properties of N-(2,2-dimethylbut-3-enylidene)methanimidamide?
N-(2,2-dimethylbut-3-enylidene)methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbut-3-enylidene)methanimidamide is sourced from PubChem (CID 153402093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).