N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide

C10H23N2OP — CID 176552020

IUPACN-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
SMILESCPC(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H23N2OP/c1-10(2,14-5)9(13)11-7-6-8-12(3)4/h14H,6-8H2,1-5H3,(H,11,13)
InChIKeyPGWHCEFEDCNTTI-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide

N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide (PubChem CID 176552020) has the molecular formula C10H23N2OP and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
PubChem CID176552020
Molecular FormulaC10H23N2OP
Molecular Weight218.28 g/mol
Exact Mass218.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
SMILESCPC(C)(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H23N2OP/c1-10(2,14-5)9(13)11-7-6-8-12(3)4/h14H,6-8H2,1-5H3,(H,11,13)
InChIKeyPGWHCEFEDCNTTI-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide
CID 101146688
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
2,2,3,3-tetramethyl-N-[3-[methyl-[3-(2,2,3,3-tetramethylbutanoylamino)propyl]amino]propyl]butanamide
CID 20759278
5-[3-(dimethylamino)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157683
4-[3-(dimethylamino)propylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300125
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide (CID 176552020) is N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide is CPC(C)(C)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide?
The InChIKey is PGWHCEFEDCNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2OP/c1-10(2,14-5)9(13)11-7-6-8-12(3)4/h14H,6-8H2,1-5H3,(H,11,13).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide?
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide has a molecular weight of 218.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide is sourced from PubChem (CID 176552020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).