3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide

C10H23N2OP — CID 142005602

IUPAC3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide
SMILESCN(C)PC(CC(N)=O)CC(C)(C)C
InChIInChI=1S/C10H23N2OP/c1-10(2,3)7-8(6-9(11)13)14-12(4)5/h8,14H,6-7H2,1-5H3,(H2,11,13)
InChIKeyDHGDHLHKKXMYKT-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.82
Rot. Bonds5

About 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide

3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide (PubChem CID 142005602) has the molecular formula C10H23N2OP and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide
PubChem CID142005602
Molecular FormulaC10H23N2OP
Molecular Weight218.28 g/mol
Exact Mass218.15
IUPAC Name3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide
SMILESCN(C)PC(CC(N)=O)CC(C)(C)C
InChIInChI=1S/C10H23N2OP/c1-10(2,3)7-8(6-9(11)13)14-12(4)5/h8,14H,6-7H2,1-5H3,(H2,11,13)
InChIKeyDHGDHLHKKXMYKT-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropyl)butanediamide
CID 88719248
(3R)-3-acetyl-5,5-dimethylhexanamide
CID 142089595
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(2R)-2-tert-butylbutanediamide
CID 22864144
(3R)-4-amino-3-hydroxy-4-methylpentanamide
CID 809792
4-amino-3-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 66429453
4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
CID 138701587
(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
CID 176616493
2-(1-iodoethyl)-4,4-dimethylpentanamide
CID 159720292
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
(3-carbamoyl-2-phosphonopentan-2-yl)phosphonic acid
CID 22966765
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide?
The IUPAC name of 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide (CID 142005602) is 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide is CN(C)PC(CC(N)=O)CC(C)(C)C.
What is the InChIKey of 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide?
The InChIKey is DHGDHLHKKXMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2OP/c1-10(2,3)7-8(6-9(11)13)14-12(4)5/h8,14H,6-7H2,1-5H3,(H2,11,13).
What are the key properties of 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide?
3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide has a molecular weight of 218.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 142005602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).