N-ethoxy-N-(2-phosphanylethyl)propan-1-amine

C7H18NOP — CID 87618872

IUPACN-ethoxy-N-(2-phosphanylethyl)propan-1-amine
SMILESCCCN(CCP)OCC
InChIInChI=1S/C7H18NOP/c1-3-5-8(6-7-10)9-4-2/h3-7,10H2,1-2H3
InChIKeyZVPZGKMZPUDTDX-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.52
Rot. Bonds6

About N-ethoxy-N-(2-phosphanylethyl)propan-1-amine

N-ethoxy-N-(2-phosphanylethyl)propan-1-amine (PubChem CID 87618872) has the molecular formula C7H18NOP and a molecular weight of 163.20 g/mol. Its IUPAC name is N-ethoxy-N-(2-phosphanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethoxy-N-(2-phosphanylethyl)propan-1-amine
PubChem CID87618872
Molecular FormulaC7H18NOP
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC NameN-ethoxy-N-(2-phosphanylethyl)propan-1-amine
SMILESCCCN(CCP)OCC
InChIInChI=1S/C7H18NOP/c1-3-5-8(6-7-10)9-4-2/h3-7,10H2,1-2H3
InChIKeyZVPZGKMZPUDTDX-UHFFFAOYSA-N
XLogP1.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-ethoxypentan-1-amine
CID 174575432
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413
N-butyl-N-ethoxydodecan-1-amine
CID 150955384
N-ethyl-N-methoxy-2-phosphanylethanamine
CID 87357434
2-(dipropylamino)oxyethanol
CID 87103573
N,N,N',N'-tetraethoxyethane-1,2-diamine
CID 86169848
2-[2-(dimethylamino)ethoxy-propylamino]ethanol
CID 87108609
1,2-diethoxy-1,2-dimethoxyhydrazine
CID 154020746
3-[ethoxy(ethyl)amino]propan-1-ol
CID 130124648
N'-octoxy-N'-propylpropane-1,3-diamine
CID 130365569
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
(dipropylamino) 2-methylprop-2-enoate
CID 54482611

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-(2-phosphanylethyl)propan-1-amine?
The IUPAC name of N-ethoxy-N-(2-phosphanylethyl)propan-1-amine (CID 87618872) is N-ethoxy-N-(2-phosphanylethyl)propan-1-amine.
What is the SMILES notation for N-ethoxy-N-(2-phosphanylethyl)propan-1-amine?
The canonical SMILES for N-ethoxy-N-(2-phosphanylethyl)propan-1-amine is CCCN(CCP)OCC.
What is the InChIKey of N-ethoxy-N-(2-phosphanylethyl)propan-1-amine?
The InChIKey is ZVPZGKMZPUDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NOP/c1-3-5-8(6-7-10)9-4-2/h3-7,10H2,1-2H3.
What are the key properties of N-ethoxy-N-(2-phosphanylethyl)propan-1-amine?
N-ethoxy-N-(2-phosphanylethyl)propan-1-amine has a molecular weight of 163.20 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-(2-phosphanylethyl)propan-1-amine is sourced from PubChem (CID 87618872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).