methyl N-(1-cyano-2-methylpropyl)methanimidate

C7H12N2O — CID 11083973

IUPACmethyl N-(1-cyano-2-methylpropyl)methanimidate
SMILESCO/C=N/C(C#N)C(C)C
InChIInChI=1S/C7H12N2O/c1-6(2)7(4-8)9-5-10-3/h5-7H,1-3H3/b9-5+
InChIKeyINFYSFDKRCTONK-WEVVVXLNSA-N
MW140.19 g/mol
LogP1.21
Rot. Bonds3

About methyl N-(1-cyano-2-methylpropyl)methanimidate

methyl N-(1-cyano-2-methylpropyl)methanimidate (PubChem CID 11083973) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl N-(1-cyano-2-methylpropyl)methanimidate.

Molecular Properties

Compound Namemethyl N-(1-cyano-2-methylpropyl)methanimidate
PubChem CID11083973
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl N-(1-cyano-2-methylpropyl)methanimidate
SMILESCO/C=N/C(C#N)C(C)C
InChIInChI=1S/C7H12N2O/c1-6(2)7(4-8)9-5-10-3/h5-7H,1-3H3/b9-5+
InChIKeyINFYSFDKRCTONK-WEVVVXLNSA-N
XLogP1.21
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl N-(1-cyano-2-methylpropyl)methanimidate?
The IUPAC name of methyl N-(1-cyano-2-methylpropyl)methanimidate (CID 11083973) is methyl N-(1-cyano-2-methylpropyl)methanimidate.
What is the SMILES notation for methyl N-(1-cyano-2-methylpropyl)methanimidate?
The canonical SMILES for methyl N-(1-cyano-2-methylpropyl)methanimidate is CO/C=N/C(C#N)C(C)C.
What is the InChIKey of methyl N-(1-cyano-2-methylpropyl)methanimidate?
The InChIKey is INFYSFDKRCTONK-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)7(4-8)9-5-10-3/h5-7H,1-3H3/b9-5+.
What are the key properties of methyl N-(1-cyano-2-methylpropyl)methanimidate?
methyl N-(1-cyano-2-methylpropyl)methanimidate has a molecular weight of 140.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyano-2-methylpropyl)methanimidate is sourced from PubChem (CID 11083973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).