carbamoyl 2,2-dimethylpropanimidate

C6H12N2O2 — CID 144873528

IUPACcarbamoyl 2,2-dimethylpropanimidate
SMILES[H]/N=C(\OC(N)=O)C(C)(C)C
InChIInChI=1S/C6H12N2O2/c1-6(2,3)4(7)10-5(8)9/h7H,1-3H3,(H2,8,9)/b7-4-
InChIKeyIKSHLEFLQOEZTG-DAXSKMNVSA-N
MW144.17 g/mol
LogP1.11
Rot. Bonds

About carbamoyl 2,2-dimethylpropanimidate

carbamoyl 2,2-dimethylpropanimidate (PubChem CID 144873528) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is carbamoyl 2,2-dimethylpropanimidate.

Molecular Properties

Compound Namecarbamoyl 2,2-dimethylpropanimidate
PubChem CID144873528
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namecarbamoyl 2,2-dimethylpropanimidate
SMILES[H]/N=C(\OC(N)=O)C(C)(C)C
InChIInChI=1S/C6H12N2O2/c1-6(2,3)4(7)10-5(8)9/h7H,1-3H3,(H2,8,9)/b7-4-
InChIKeyIKSHLEFLQOEZTG-DAXSKMNVSA-N
XLogP1.11
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbamoyl 2,2-dimethylpropanimidate 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

[N'-(2,2,2-trichloroethoxycarbonyl)carbamimidoyl] 2,2-dimethylpropanimidate
CID 123394028
aminophosphanyl 2,2-dimethylpropanimidate
CID 163949509
4,4-dimethyl-3-oxopentanimidamide
CID 71322397
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
(3-amino-3-iminopropyl) 2,2-dimethylpropanoate
CID 159975596
carbamoyl carbamate;dihydrochloride
CID 175326234
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
ethyl 2-imino-3,3-dimethylbutanoate
CID 134381367
N-[(4-carbamimidoylcyclohexyl)methyl]-2,2-dimethylpropanamide
CID 23590361
N-carbamoyl-2-propanimidoyloxyacetonitrilium
CID 87090102
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2,2-dimethylpropanimidate?
The IUPAC name of carbamoyl 2,2-dimethylpropanimidate (CID 144873528) is carbamoyl 2,2-dimethylpropanimidate.
What is the SMILES notation for carbamoyl 2,2-dimethylpropanimidate?
The canonical SMILES for carbamoyl 2,2-dimethylpropanimidate is [H]/N=C(\OC(N)=O)C(C)(C)C.
What is the InChIKey of carbamoyl 2,2-dimethylpropanimidate?
The InChIKey is IKSHLEFLQOEZTG-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(2,3)4(7)10-5(8)9/h7H,1-3H3,(H2,8,9)/b7-4-.
What are the key properties of carbamoyl 2,2-dimethylpropanimidate?
carbamoyl 2,2-dimethylpropanimidate has a molecular weight of 144.17 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2,2-dimethylpropanimidate is sourced from PubChem (CID 144873528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).