N-[(dimethylamino)methyl]-2,2-dimethylbutanamide

C9H20N2O — CID 20718215

IUPACN-[(dimethylamino)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCN(C)C
InChIInChI=1S/C9H20N2O/c1-6-9(2,3)8(12)10-7-11(4)5/h6-7H2,1-5H3,(H,10,12)
InChIKeyLEQCFSTZNSKMCX-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.06
Rot. Bonds4

About N-[(dimethylamino)methyl]-2,2-dimethylbutanamide

N-[(dimethylamino)methyl]-2,2-dimethylbutanamide (PubChem CID 20718215) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-2,2-dimethylbutanamide
PubChem CID20718215
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(dimethylamino)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCN(C)C
InChIInChI=1S/C9H20N2O/c1-6-9(2,3)8(12)10-7-11(4)5/h6-7H2,1-5H3,(H,10,12)
InChIKeyLEQCFSTZNSKMCX-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(dimethylamino)methyl]-2,2-dimethylbutanamide (CID 20718215) is N-[(dimethylamino)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(dimethylamino)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-2,2-dimethylbutanamide?
The InChIKey is LEQCFSTZNSKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-9(2,3)8(12)10-7-11(4)5/h6-7H2,1-5H3,(H,10,12).
What are the key properties of N-[(dimethylamino)methyl]-2,2-dimethylbutanamide?
N-[(dimethylamino)methyl]-2,2-dimethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 20718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).