(2,6-dimethylanilino)carbamic acid

C9H12N2O2 — CID 70546414

IUPAC(2,6-dimethylanilino)carbamic acid
SMILESCc1cccc(C)c1NNC(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-4-3-5-7(2)8(6)10-11-9(12)13/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyIUOFKRMSARYRSR-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.90
Rot. Bonds2

About (2,6-dimethylanilino)carbamic acid

(2,6-dimethylanilino)carbamic acid (PubChem CID 70546414) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2,6-dimethylanilino)carbamic acid.

Molecular Properties

Compound Name(2,6-dimethylanilino)carbamic acid
PubChem CID70546414
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2,6-dimethylanilino)carbamic acid
SMILESCc1cccc(C)c1NNC(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-4-3-5-7(2)8(6)10-11-9(12)13/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyIUOFKRMSARYRSR-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,6-dimethylanilino)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylanilino)carbamic acid?
The IUPAC name of (2,6-dimethylanilino)carbamic acid (CID 70546414) is (2,6-dimethylanilino)carbamic acid.
What is the SMILES notation for (2,6-dimethylanilino)carbamic acid?
The canonical SMILES for (2,6-dimethylanilino)carbamic acid is Cc1cccc(C)c1NNC(=O)O.
What is the InChIKey of (2,6-dimethylanilino)carbamic acid?
The InChIKey is IUOFKRMSARYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-3-5-7(2)8(6)10-11-9(12)13/h3-5,10-11H,1-2H3,(H,12,13).
What are the key properties of (2,6-dimethylanilino)carbamic acid?
(2,6-dimethylanilino)carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylanilino)carbamic acid is sourced from PubChem (CID 70546414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).