N-(diethoxyphosphorylmethyl)pentan-1-amine

C10H24NO3P — CID 23263584

IUPACN-(diethoxyphosphorylmethyl)pentan-1-amine
SMILESCCCCCNCP(=O)(OCC)OCC
InChIInChI=1S/C10H24NO3P/c1-4-7-8-9-11-10-15(12,13-5-2)14-6-3/h11H,4-10H2,1-3H3
InChIKeyYKTFMTVCCMFQIY-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.99
Rot. Bonds10

About N-(diethoxyphosphorylmethyl)pentan-1-amine

N-(diethoxyphosphorylmethyl)pentan-1-amine (PubChem CID 23263584) has the molecular formula C10H24NO3P and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)pentan-1-amine
PubChem CID23263584
Molecular FormulaC10H24NO3P
Molecular Weight237.28 g/mol
Exact Mass237.15
IUPAC NameN-(diethoxyphosphorylmethyl)pentan-1-amine
SMILESCCCCCNCP(=O)(OCC)OCC
InChIInChI=1S/C10H24NO3P/c1-4-7-8-9-11-10-15(12,13-5-2)14-6-3/h11H,4-10H2,1-3H3
InChIKeyYKTFMTVCCMFQIY-UHFFFAOYSA-N
XLogP2.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(diethoxyphosphorylmethyl)pentan-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-(diethoxyphosphorylmethyl)pentan-1-amine?
The IUPAC name of N-(diethoxyphosphorylmethyl)pentan-1-amine (CID 23263584) is N-(diethoxyphosphorylmethyl)pentan-1-amine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)pentan-1-amine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)pentan-1-amine is CCCCCNCP(=O)(OCC)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)pentan-1-amine?
The InChIKey is YKTFMTVCCMFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3P/c1-4-7-8-9-11-10-15(12,13-5-2)14-6-3/h11H,4-10H2,1-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)pentan-1-amine?
N-(diethoxyphosphorylmethyl)pentan-1-amine has a molecular weight of 237.28 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)pentan-1-amine is sourced from PubChem (CID 23263584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).