N-[ethoxy(propylamino)phosphoryl]propan-1-amine

C8H21N2O2P — CID 13438201

IUPACN-[ethoxy(propylamino)phosphoryl]propan-1-amine
SMILESCCCNP(=O)(NCCC)OCC
InChIInChI=1S/C8H21N2O2P/c1-4-7-9-13(11,12-6-3)10-8-5-2/h4-8H2,1-3H3,(H2,9,10,11)
InChIKeyJHWQKIQQUJOZCP-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.13
Rot. Bonds8

About N-[ethoxy(propylamino)phosphoryl]propan-1-amine

N-[ethoxy(propylamino)phosphoryl]propan-1-amine (PubChem CID 13438201) has the molecular formula C8H21N2O2P and a molecular weight of 208.24 g/mol. Its IUPAC name is N-[ethoxy(propylamino)phosphoryl]propan-1-amine.

Molecular Properties

Compound NameN-[ethoxy(propylamino)phosphoryl]propan-1-amine
PubChem CID13438201
Molecular FormulaC8H21N2O2P
Molecular Weight208.24 g/mol
Exact Mass208.13
IUPAC NameN-[ethoxy(propylamino)phosphoryl]propan-1-amine
SMILESCCCNP(=O)(NCCC)OCC
InChIInChI=1S/C8H21N2O2P/c1-4-7-9-13(11,12-6-3)10-8-5-2/h4-8H2,1-3H3,(H2,9,10,11)
InChIKeyJHWQKIQQUJOZCP-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(propylamino)phosphinic acid
CID 59603177
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide
CID 29468
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
CID 13438203
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
(ethylamino)-(propylamino)phosphinic acid;yttrium
CID 58265803
ethoxy-N-methylphosphonamidic acid
CID 20842965
CID 87495286
CID 87495286
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(propylamino)phosphoryl]propan-1-amine?
The IUPAC name of N-[ethoxy(propylamino)phosphoryl]propan-1-amine (CID 13438201) is N-[ethoxy(propylamino)phosphoryl]propan-1-amine.
What is the SMILES notation for N-[ethoxy(propylamino)phosphoryl]propan-1-amine?
The canonical SMILES for N-[ethoxy(propylamino)phosphoryl]propan-1-amine is CCCNP(=O)(NCCC)OCC.
What is the InChIKey of N-[ethoxy(propylamino)phosphoryl]propan-1-amine?
The InChIKey is JHWQKIQQUJOZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O2P/c1-4-7-9-13(11,12-6-3)10-8-5-2/h4-8H2,1-3H3,(H2,9,10,11).
What are the key properties of N-[ethoxy(propylamino)phosphoryl]propan-1-amine?
N-[ethoxy(propylamino)phosphoryl]propan-1-amine has a molecular weight of 208.24 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(propylamino)phosphoryl]propan-1-amine is sourced from PubChem (CID 13438201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).