2-dimethylphosphanyl-N,4,4-trimethylpentanamide

C10H22NOP — CID 139494250

IUPAC2-dimethylphosphanyl-N,4,4-trimethylpentanamide
SMILESCNC(=O)C(CC(C)(C)C)P(C)C
InChIInChI=1S/C10H22NOP/c1-10(2,3)7-8(13(5)6)9(12)11-4/h8H,7H2,1-6H3,(H,11,12)
InChIKeyAALQLTSLCFAACZ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.28
Rot. Bonds3

About 2-dimethylphosphanyl-N,4,4-trimethylpentanamide

2-dimethylphosphanyl-N,4,4-trimethylpentanamide (PubChem CID 139494250) has the molecular formula C10H22NOP and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-dimethylphosphanyl-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-dimethylphosphanyl-N,4,4-trimethylpentanamide
PubChem CID139494250
Molecular FormulaC10H22NOP
Molecular Weight203.27 g/mol
Exact Mass203.14
IUPAC Name2-dimethylphosphanyl-N,4,4-trimethylpentanamide
SMILESCNC(=O)C(CC(C)(C)C)P(C)C
InChIInChI=1S/C10H22NOP/c1-10(2,3)7-8(13(5)6)9(12)11-4/h8H,7H2,1-6H3,(H,11,12)
InChIKeyAALQLTSLCFAACZ-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
N,2,4,4-tetramethylhexanamide
CID 177059131
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine
CID 144765343
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
1-[(2R)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099817
(2R)-2-amino-N-methylbutanamide
CID 14888796
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphanyl-N,4,4-trimethylpentanamide?
The IUPAC name of 2-dimethylphosphanyl-N,4,4-trimethylpentanamide (CID 139494250) is 2-dimethylphosphanyl-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-dimethylphosphanyl-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-dimethylphosphanyl-N,4,4-trimethylpentanamide is CNC(=O)C(CC(C)(C)C)P(C)C.
What is the InChIKey of 2-dimethylphosphanyl-N,4,4-trimethylpentanamide?
The InChIKey is AALQLTSLCFAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NOP/c1-10(2,3)7-8(13(5)6)9(12)11-4/h8H,7H2,1-6H3,(H,11,12).
What are the key properties of 2-dimethylphosphanyl-N,4,4-trimethylpentanamide?
2-dimethylphosphanyl-N,4,4-trimethylpentanamide has a molecular weight of 203.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanyl-N,4,4-trimethylpentanamide is sourced from PubChem (CID 139494250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).