N-diethoxyphosphorylpentan-1-amine

C9H22NO3P — CID 12804376

IUPACN-diethoxyphosphorylpentan-1-amine
SMILESCCCCCNP(=O)(OCC)OCC
InChIInChI=1S/C9H22NO3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-9H2,1-3H3,(H,10,11)
InChIKeyQKIYOKRQZFARSK-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.95
Rot. Bonds9

About N-diethoxyphosphorylpentan-1-amine

N-diethoxyphosphorylpentan-1-amine (PubChem CID 12804376) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is N-diethoxyphosphorylpentan-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphorylpentan-1-amine
PubChem CID12804376
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC NameN-diethoxyphosphorylpentan-1-amine
SMILESCCCCCNP(=O)(OCC)OCC
InChIInChI=1S/C9H22NO3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-9H2,1-3H3,(H,10,11)
InChIKeyQKIYOKRQZFARSK-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-diethoxyphosphorylpentan-1-amine 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 N-diethoxyphosphorylpentan-1-amine?
The IUPAC name of N-diethoxyphosphorylpentan-1-amine (CID 12804376) is N-diethoxyphosphorylpentan-1-amine.
What is the SMILES notation for N-diethoxyphosphorylpentan-1-amine?
The canonical SMILES for N-diethoxyphosphorylpentan-1-amine is CCCCCNP(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphorylpentan-1-amine?
The InChIKey is QKIYOKRQZFARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-9H2,1-3H3,(H,10,11).
What are the key properties of N-diethoxyphosphorylpentan-1-amine?
N-diethoxyphosphorylpentan-1-amine has a molecular weight of 223.25 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphorylpentan-1-amine is sourced from PubChem (CID 12804376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).