tris(1-aminohexyl) phosphite

C18H42N3O3P — CID 87256127

IUPACtris(1-aminohexyl) phosphite
SMILESCCCCCC(N)OP(OC(N)CCCCC)OC(N)CCCCC
InChIInChI=1S/C18H42N3O3P/c1-4-7-10-13-16(19)22-25(23-17(20)14-11-8-5-2)24-18(21)15-12-9-6-3/h16-18H,4-15,19-21H2,1-3H3
InChIKeyDIMFLHFYXPJVMP-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.86
Rot. Bonds18

About tris(1-aminohexyl) phosphite

tris(1-aminohexyl) phosphite (PubChem CID 87256127) has the molecular formula C18H42N3O3P and a molecular weight of 379.53 g/mol. Its IUPAC name is tris(1-aminohexyl) phosphite.

Molecular Properties

Compound Nametris(1-aminohexyl) phosphite
PubChem CID87256127
Molecular FormulaC18H42N3O3P
Molecular Weight379.53 g/mol
Exact Mass379.30
IUPAC Nametris(1-aminohexyl) phosphite
SMILESCCCCCC(N)OP(OC(N)CCCCC)OC(N)CCCCC
InChIInChI=1S/C18H42N3O3P/c1-4-7-10-13-16(19)22-25(23-17(20)14-11-8-5-2)24-18(21)15-12-9-6-3/h16-18H,4-15,19-21H2,1-3H3
InChIKeyDIMFLHFYXPJVMP-UHFFFAOYSA-N
XLogP4.86
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

O-(1-aminoheptyl)hydroxylamine
CID 89080647
tripentadecan-6-yl phosphite
CID 87207088
bis(1-aminodecyl) oxalate
CID 174693733
hexane-1,1-diamine;hydrobromide
CID 141245501
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
1-hexan-3-yloxyhexan-1-amine
CID 19371183
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
1-aminooctyl formate
CID 174824755
2-(1-aminohexoxy)ethanol
CID 87099968

Frequently Asked Questions

What is the IUPAC name of tris(1-aminohexyl) phosphite?
The IUPAC name of tris(1-aminohexyl) phosphite (CID 87256127) is tris(1-aminohexyl) phosphite.
What is the SMILES notation for tris(1-aminohexyl) phosphite?
The canonical SMILES for tris(1-aminohexyl) phosphite is CCCCCC(N)OP(OC(N)CCCCC)OC(N)CCCCC.
What is the InChIKey of tris(1-aminohexyl) phosphite?
The InChIKey is DIMFLHFYXPJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N3O3P/c1-4-7-10-13-16(19)22-25(23-17(20)14-11-8-5-2)24-18(21)15-12-9-6-3/h16-18H,4-15,19-21H2,1-3H3.
What are the key properties of tris(1-aminohexyl) phosphite?
tris(1-aminohexyl) phosphite has a molecular weight of 379.53 g/mol, XLogP of 4.86, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-aminohexyl) phosphite is sourced from PubChem (CID 87256127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).