methyl 2-amino-N-methylethanimidate

C4H10N2O — CID 44784852

IUPACmethyl 2-amino-N-methylethanimidate
SMILESC/N=C(\CN)OC
InChIInChI=1S/C4H10N2O/c1-6-4(3-5)7-2/h3,5H2,1-2H3/b6-4+
InChIKeyCDWGPARUNRBSAR-GQCTYLIASA-N
MW102.14 g/mol
LogP-0.38
Rot. Bonds1

About methyl 2-amino-N-methylethanimidate

methyl 2-amino-N-methylethanimidate (PubChem CID 44784852) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is methyl 2-amino-N-methylethanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-methylethanimidate
PubChem CID44784852
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namemethyl 2-amino-N-methylethanimidate
SMILESC/N=C(\CN)OC
InChIInChI=1S/C4H10N2O/c1-6-4(3-5)7-2/h3,5H2,1-2H3/b6-4+
InChIKeyCDWGPARUNRBSAR-GQCTYLIASA-N
XLogP-0.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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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Related Compounds

ethene;methyl 2-amino-N-methylethanimidate;hydrochloride
CID 44784851
methyl N-methylpentanimidate
CID 89172529
methyl 3,3,3-trifluoro-N-methylpropanimidate
CID 123873705
2-methyliminobutan-1-amine
CID 59938695
2-[(2-aminoacetyl)amino]ethyl 4-(ethylamino)-N-methyl-4-oxobutanimidate
CID 59935073
O-methyl 2-aminoethanethioate
CID 140974503
N-methoxy-N'-methylpropanimidamide
CID 89118421
methyl 3-chloropropanehydrazonate
CID 175003886
potassium;hydride;methyl 2-aminoacetate
CID 175381316
2-aminoacetic acid;2-methylguanidine
CID 175416544
diethyl N,N'-dihydroxypropanediimidate
CID 174681376
ethane-1,2-diol;methyl 2-aminoacetate
CID 122528539

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-methylethanimidate?
The IUPAC name of methyl 2-amino-N-methylethanimidate (CID 44784852) is methyl 2-amino-N-methylethanimidate.
What is the SMILES notation for methyl 2-amino-N-methylethanimidate?
The canonical SMILES for methyl 2-amino-N-methylethanimidate is C/N=C(\CN)OC.
What is the InChIKey of methyl 2-amino-N-methylethanimidate?
The InChIKey is CDWGPARUNRBSAR-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10N2O/c1-6-4(3-5)7-2/h3,5H2,1-2H3/b6-4+.
What are the key properties of methyl 2-amino-N-methylethanimidate?
methyl 2-amino-N-methylethanimidate has a molecular weight of 102.14 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-methylethanimidate is sourced from PubChem (CID 44784852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).