bis[3-(dimethylamino)propoxy]-oxophosphanium

C10H24N2O3P+ — CID 174251326

IUPACbis[3-(dimethylamino)propoxy]-oxophosphanium
SMILESCN(C)CCCO[P+](=O)OCCCN(C)C
InChIInChI=1S/C10H24N2O3P/c1-11(2)7-5-9-14-16(13)15-10-6-8-12(3)4/h5-10H2,1-4H3/q+1
InChIKeyZKCKKBPGPAUQBH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.58
Rot. Bonds10

About bis[3-(dimethylamino)propoxy]-oxophosphanium

bis[3-(dimethylamino)propoxy]-oxophosphanium (PubChem CID 174251326) has the molecular formula C10H24N2O3P+ and a molecular weight of 251.29 g/mol. Its IUPAC name is bis[3-(dimethylamino)propoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[3-(dimethylamino)propoxy]-oxophosphanium
PubChem CID174251326
Molecular FormulaC10H24N2O3P+
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Namebis[3-(dimethylamino)propoxy]-oxophosphanium
SMILESCN(C)CCCO[P+](=O)OCCCN(C)C
InChIInChI=1S/C10H24N2O3P/c1-11(2)7-5-9-14-16(13)15-10-6-8-12(3)4/h5-10H2,1-4H3/q+1
InChIKeyZKCKKBPGPAUQBH-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
CID 59347745
CID 59347745
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
oxo-bis(2-trimethylsilylethoxy)phosphanium
CID 10731640
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
butoxy-dodecoxy-oxophosphanium
CID 175103299
3-O-[3-(dimethylamino)propyl] 1-O-methyl propanedioate
CID 168950303
3-(dimethylamino)propyl 3-sulfanylpropanoate
CID 71427111

Frequently Asked Questions

What is the IUPAC name of bis[3-(dimethylamino)propoxy]-oxophosphanium?
The IUPAC name of bis[3-(dimethylamino)propoxy]-oxophosphanium (CID 174251326) is bis[3-(dimethylamino)propoxy]-oxophosphanium.
What is the SMILES notation for bis[3-(dimethylamino)propoxy]-oxophosphanium?
The canonical SMILES for bis[3-(dimethylamino)propoxy]-oxophosphanium is CN(C)CCCO[P+](=O)OCCCN(C)C.
What is the InChIKey of bis[3-(dimethylamino)propoxy]-oxophosphanium?
The InChIKey is ZKCKKBPGPAUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3P/c1-11(2)7-5-9-14-16(13)15-10-6-8-12(3)4/h5-10H2,1-4H3/q+1.
What are the key properties of bis[3-(dimethylamino)propoxy]-oxophosphanium?
bis[3-(dimethylamino)propoxy]-oxophosphanium has a molecular weight of 251.29 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(dimethylamino)propoxy]-oxophosphanium is sourced from PubChem (CID 174251326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).