methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate

C10H20N2O2 — CID 91718285

IUPACmethyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate
SMILESCCC(C)C(/N=C/N(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-6-8(2)9(10(13)14-5)11-7-12(3)4/h7-9H,6H2,1-5H3/b11-7+
InChIKeyAQZUPSFYTJWYPE-YRNVUSSQSA-N
MW200.28 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate

methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate (PubChem CID 91718285) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate
PubChem CID91718285
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate
SMILESCCC(C)C(/N=C/N(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-6-8(2)9(10(13)14-5)11-7-12(3)4/h7-9H,6H2,1-5H3/b11-7+
InChIKeyAQZUPSFYTJWYPE-YRNVUSSQSA-N
XLogP1.16
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.16
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 2-(dimethylaminomethylideneamino)-3-methylpentanoate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate (CID 91718285) is methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate is CCC(C)C(/N=C/N(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate?
The InChIKey is AQZUPSFYTJWYPE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-8(2)9(10(13)14-5)11-7-12(3)4/h7-9H,6H2,1-5H3/b11-7+.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate?
methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate has a molecular weight of 200.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)-3-methylpentanoate is sourced from PubChem (CID 91718285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).