methyl N-methylpentanimidate

C7H15NO — CID 89172529

IUPACmethyl N-methylpentanimidate
SMILESCCCC/C(=N/C)OC
InChIInChI=1S/C7H15NO/c1-4-5-6-7(8-2)9-3/h4-6H2,1-3H3/b8-7-
InChIKeyCUOWHYGWWHFMQV-FPLPWBNLSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds3

About methyl N-methylpentanimidate

methyl N-methylpentanimidate (PubChem CID 89172529) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is methyl N-methylpentanimidate.

Molecular Properties

Compound Namemethyl N-methylpentanimidate
PubChem CID89172529
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namemethyl N-methylpentanimidate
SMILESCCCC/C(=N/C)OC
InChIInChI=1S/C7H15NO/c1-4-5-6-7(8-2)9-3/h4-6H2,1-3H3/b8-7-
InChIKeyCUOWHYGWWHFMQV-FPLPWBNLSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-hydroxypentanimidate
CID 173290814
methyl N-(4-methylphenyl)sulfonylpentanimidate
CID 74988744
ethene;methyl 2-amino-N-methylethanimidate;hydrochloride
CID 44784851
hydrazine;methyl pentanoate
CID 88709772
methyl 3-oxoheptanoate
CID 546075
methyl (E)-2-[(C-butyl-N-methylcarbonimidoyl)-methylamino]-3-chloroprop-2-enoate
CID 143838405
N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
CID 123587898
methoxymethane;pentane
CID 87151149
N-methyloctan-3-imine
CID 550941
(E)-4-methoxyoct-3-en-1-yne
CID 101065502
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
2-methoxydec-1-en-1-one
CID 134874211

Frequently Asked Questions

What is the IUPAC name of methyl N-methylpentanimidate?
The IUPAC name of methyl N-methylpentanimidate (CID 89172529) is methyl N-methylpentanimidate.
What is the SMILES notation for methyl N-methylpentanimidate?
The canonical SMILES for methyl N-methylpentanimidate is CCCC/C(=N/C)OC.
What is the InChIKey of methyl N-methylpentanimidate?
The InChIKey is CUOWHYGWWHFMQV-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-7(8-2)9-3/h4-6H2,1-3H3/b8-7-.
What are the key properties of methyl N-methylpentanimidate?
methyl N-methylpentanimidate has a molecular weight of 129.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylpentanimidate is sourced from PubChem (CID 89172529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).