methyl 3-methyldiazinane-3-carboxylate

C7H14N2O2 — CID 154020740

IUPACmethyl 3-methyldiazinane-3-carboxylate
SMILESCOC(=O)C1(C)CCCNN1
InChIInChI=1S/C7H14N2O2/c1-7(6(10)11-2)4-3-5-8-9-7/h8-9H,3-5H2,1-2H3
InChIKeyDHJGFTQQXRIXTC-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.19
Rot. Bonds1

About methyl 3-methyldiazinane-3-carboxylate

methyl 3-methyldiazinane-3-carboxylate (PubChem CID 154020740) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-methyldiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyldiazinane-3-carboxylate
PubChem CID154020740
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 3-methyldiazinane-3-carboxylate
SMILESCOC(=O)C1(C)CCCNN1
InChIInChI=1S/C7H14N2O2/c1-7(6(10)11-2)4-3-5-8-9-7/h8-9H,3-5H2,1-2H3
InChIKeyDHJGFTQQXRIXTC-UHFFFAOYSA-N
XLogP-0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyldiazinane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580438
methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
CID 90329982
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
methyl (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 72698830
methyl (2S)-2-propan-2-ylpyrrolidine-2-carboxylate;hydrochloride
CID 162342607
methyl 3-methylthiomorpholine-3-carboxylate
CID 130922744
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl (2R)-2,4,4-trimethylpyrrolidine-2-carboxylate
CID 124654196
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyldiazinane-3-carboxylate?
The IUPAC name of methyl 3-methyldiazinane-3-carboxylate (CID 154020740) is methyl 3-methyldiazinane-3-carboxylate.
What is the SMILES notation for methyl 3-methyldiazinane-3-carboxylate?
The canonical SMILES for methyl 3-methyldiazinane-3-carboxylate is COC(=O)C1(C)CCCNN1.
What is the InChIKey of methyl 3-methyldiazinane-3-carboxylate?
The InChIKey is DHJGFTQQXRIXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(6(10)11-2)4-3-5-8-9-7/h8-9H,3-5H2,1-2H3.
What are the key properties of methyl 3-methyldiazinane-3-carboxylate?
methyl 3-methyldiazinane-3-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyldiazinane-3-carboxylate is sourced from PubChem (CID 154020740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).