methyl N'-tert-butylcarbamimidate

C6H14N2O — CID 13222079

IUPACmethyl N'-tert-butylcarbamimidate
SMILESCO/C(N)=N\C(C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(2,3)8-5(7)9-4/h1-4H3,(H2,7,8)
InChIKeySPAJONKITBNJGF-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.75
Rot. Bonds

About methyl N'-tert-butylcarbamimidate

methyl N'-tert-butylcarbamimidate (PubChem CID 13222079) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is methyl N'-tert-butylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-tert-butylcarbamimidate
PubChem CID13222079
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namemethyl N'-tert-butylcarbamimidate
SMILESCO/C(N)=N\C(C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(2,3)8-5(7)9-4/h1-4H3,(H2,7,8)
InChIKeySPAJONKITBNJGF-UHFFFAOYSA-N
XLogP0.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl N'-tert-butylcarbamimidate 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

1-amino-2-tert-butylguanidine
CID 13451339
2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
CID 53307491
2-tert-butyl-1-propan-2-yloxyguanidine
CID 130697541
methyl N-tert-butyl-2-oxoethanimidate
CID 147551199
2-amino-N'-tert-butylethanimidamide
CID 152854790
methyl N'-cyanocarbamimidate
CID 15646036
methyl N'-nitrosocarbamimidate
CID 11105323
2-(2-methoxypropan-2-yl)guanidine
CID 54372387
methyl N'-(dimethylsulfamoyl)carbamimidate
CID 23228574
N'-tert-butyl-2-(tert-butylamino)ethanimidamide
CID 59404200
N-(N'-tert-butylcarbamimidoyl)formamide
CID 58320078
methyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 162589776

Frequently Asked Questions

What is the IUPAC name of methyl N'-tert-butylcarbamimidate?
The IUPAC name of methyl N'-tert-butylcarbamimidate (CID 13222079) is methyl N'-tert-butylcarbamimidate.
What is the SMILES notation for methyl N'-tert-butylcarbamimidate?
The canonical SMILES for methyl N'-tert-butylcarbamimidate is CO/C(N)=N\C(C)(C)C.
What is the InChIKey of methyl N'-tert-butylcarbamimidate?
The InChIKey is SPAJONKITBNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2,3)8-5(7)9-4/h1-4H3,(H2,7,8).
What are the key properties of methyl N'-tert-butylcarbamimidate?
methyl N'-tert-butylcarbamimidate has a molecular weight of 130.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-tert-butylcarbamimidate is sourced from PubChem (CID 13222079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).