bis(diethylamino)phosphanyl N,N-diethylcarbamate

C13H30N3O2P — CID 178171069

IUPACbis(diethylamino)phosphanyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OP(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H30N3O2P/c1-7-14(8-2)13(17)18-19(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyRPFAYCJQXMJJSU-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.38
Rot. Bonds9

About bis(diethylamino)phosphanyl N,N-diethylcarbamate

bis(diethylamino)phosphanyl N,N-diethylcarbamate (PubChem CID 178171069) has the molecular formula C13H30N3O2P and a molecular weight of 291.38 g/mol. Its IUPAC name is bis(diethylamino)phosphanyl N,N-diethylcarbamate.

Molecular Properties

Compound Namebis(diethylamino)phosphanyl N,N-diethylcarbamate
PubChem CID178171069
Molecular FormulaC13H30N3O2P
Molecular Weight291.38 g/mol
Exact Mass291.21
IUPAC Namebis(diethylamino)phosphanyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OP(N(CC)CC)N(CC)CC
InChIInChI=1S/C13H30N3O2P/c1-7-14(8-2)13(17)18-19(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyRPFAYCJQXMJJSU-UHFFFAOYSA-N
XLogP3.38
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(diethylamino)phosphanyl N,N-diethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)phosphanyl N,N-diethylcarbamate?
The IUPAC name of bis(diethylamino)phosphanyl N,N-diethylcarbamate (CID 178171069) is bis(diethylamino)phosphanyl N,N-diethylcarbamate.
What is the SMILES notation for bis(diethylamino)phosphanyl N,N-diethylcarbamate?
The canonical SMILES for bis(diethylamino)phosphanyl N,N-diethylcarbamate is CCN(CC)C(=O)OP(N(CC)CC)N(CC)CC.
What is the InChIKey of bis(diethylamino)phosphanyl N,N-diethylcarbamate?
The InChIKey is RPFAYCJQXMJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N3O2P/c1-7-14(8-2)13(17)18-19(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3.
What are the key properties of bis(diethylamino)phosphanyl N,N-diethylcarbamate?
bis(diethylamino)phosphanyl N,N-diethylcarbamate has a molecular weight of 291.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)phosphanyl N,N-diethylcarbamate is sourced from PubChem (CID 178171069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).