N-diethoxyphosphorylcyclopentanamine

C9H20NO3P — CID 14195307

IUPACN-diethoxyphosphorylcyclopentanamine
SMILESCCOP(=O)(NC1CCCC1)OCC
InChIInChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)10-9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,10,11)
InChIKeyPUZGEBBIJNRUPB-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.70
Rot. Bonds6

About N-diethoxyphosphorylcyclopentanamine

N-diethoxyphosphorylcyclopentanamine (PubChem CID 14195307) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is N-diethoxyphosphorylcyclopentanamine.

Molecular Properties

Compound NameN-diethoxyphosphorylcyclopentanamine
PubChem CID14195307
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC NameN-diethoxyphosphorylcyclopentanamine
SMILESCCOP(=O)(NC1CCCC1)OCC
InChIInChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)10-9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,10,11)
InChIKeyPUZGEBBIJNRUPB-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(2,2,2-trichloroethoxy)phosphoryl]cyclopentanamine
CID 102097676
N-diethoxyphosphoryl-1,3-dithietan-2-amine
CID 13363819
(cyclohexylamino)methyl-ethoxyphosphinic acid
CID 88509490
N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
CID 5364903
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine
CID 67015467
(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine
CID 67045454
N-[bis[diethoxymethyl(ethoxy)phosphoryl]methyl]cycloheptanamine
CID 102231884
N-[bis(methylamino)phosphoryl]cyclopentanamine
CID 154418563
(1S,4R)-4-(diethoxyphosphorylamino)cyclohex-2-en-1-ol
CID 10562555
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphorylcyclopentanamine?
The IUPAC name of N-diethoxyphosphorylcyclopentanamine (CID 14195307) is N-diethoxyphosphorylcyclopentanamine.
What is the SMILES notation for N-diethoxyphosphorylcyclopentanamine?
The canonical SMILES for N-diethoxyphosphorylcyclopentanamine is CCOP(=O)(NC1CCCC1)OCC.
What is the InChIKey of N-diethoxyphosphorylcyclopentanamine?
The InChIKey is PUZGEBBIJNRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-3-12-14(11,13-4-2)10-9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,10,11).
What are the key properties of N-diethoxyphosphorylcyclopentanamine?
N-diethoxyphosphorylcyclopentanamine has a molecular weight of 221.24 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphorylcyclopentanamine is sourced from PubChem (CID 14195307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).