N-diethoxyphosphorylhexadecan-1-amine

C20H44NO3P — CID 22003017

IUPACN-diethoxyphosphorylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNP(=O)(OCC)OCC
InChIInChI=1S/C20H44NO3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-5-2)24-6-3/h4-20H2,1-3H3,(H,21,22)
InChIKeyFGZMKLHEDBNKFX-UHFFFAOYSA-N
MW377.55 g/mol
LogP7.24
Rot. Bonds20

About N-diethoxyphosphorylhexadecan-1-amine

N-diethoxyphosphorylhexadecan-1-amine (PubChem CID 22003017) has the molecular formula C20H44NO3P and a molecular weight of 377.55 g/mol. Its IUPAC name is N-diethoxyphosphorylhexadecan-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphorylhexadecan-1-amine
PubChem CID22003017
Molecular FormulaC20H44NO3P
Molecular Weight377.55 g/mol
Exact Mass377.31
IUPAC NameN-diethoxyphosphorylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNP(=O)(OCC)OCC
InChIInChI=1S/C20H44NO3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-5-2)24-6-3/h4-20H2,1-3H3,(H,21,22)
InChIKeyFGZMKLHEDBNKFX-UHFFFAOYSA-N
XLogP7.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.55
LogP ≤ 57.24
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'}

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Related Compounds

N-dimethoxyphosphoryldodecan-1-amine
CID 54307862
(Z)-N-didodecoxyphosphoryloctadec-9-en-1-amine
CID 5383989
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
N-bis(octylamino)phosphoryloctan-1-amine
CID 71386012
N-didecoxyphosphoryl-N',N'-dimethylpropane-1,3-diamine
CID 169075508
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
CID 151189278
N'-[2-[2-[2-[2-[2-[di(nonadecoxy)phosphorylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 46183974
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
butane;ethoxy(hexyl)phosphinic acid
CID 174841560

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphorylhexadecan-1-amine?
The IUPAC name of N-diethoxyphosphorylhexadecan-1-amine (CID 22003017) is N-diethoxyphosphorylhexadecan-1-amine.
What is the SMILES notation for N-diethoxyphosphorylhexadecan-1-amine?
The canonical SMILES for N-diethoxyphosphorylhexadecan-1-amine is CCCCCCCCCCCCCCCCNP(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphorylhexadecan-1-amine?
The InChIKey is FGZMKLHEDBNKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23-5-2)24-6-3/h4-20H2,1-3H3,(H,21,22).
What are the key properties of N-diethoxyphosphorylhexadecan-1-amine?
N-diethoxyphosphorylhexadecan-1-amine has a molecular weight of 377.55 g/mol, XLogP of 7.24, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphorylhexadecan-1-amine is sourced from PubChem (CID 22003017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).