N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane

C24H54NO3PS — CID 175487759

IUPACN,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCCCCCCCN(CCCCCCCC)CCCCCCCC.OP(O)(O)=S
InChIInChI=1S/C24H51N.H3O3PS/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4(2,3)5/h4-24H2,1-3H3;(H3,1,2,3,5)
InChIKeyOYRJLNXWXMQVJY-UHFFFAOYSA-N
MW467.74 g/mol
LogP7.56
Rot. Bonds21

About N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane

N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 175487759) has the molecular formula C24H54NO3PS and a molecular weight of 467.74 g/mol. Its IUPAC name is N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound NameN,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID175487759
Molecular FormulaC24H54NO3PS
Molecular Weight467.74 g/mol
Exact Mass467.36
IUPAC NameN,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCCCCCCCN(CCCCCCCC)CCCCCCCC.OP(O)(O)=S
InChIInChI=1S/C24H51N.H3O3PS/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4(2,3)5/h4-24H2,1-3H3;(H3,1,2,3,5)
InChIKeyOYRJLNXWXMQVJY-UHFFFAOYSA-N
XLogP7.56
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 57.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane (CID 175487759) is N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane is CCCCCCCCN(CCCCCCCC)CCCCCCCC.OP(O)(O)=S.
What is the InChIKey of N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is OYRJLNXWXMQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.H3O3PS/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4(2,3)5/h4-24H2,1-3H3;(H3,1,2,3,5).
What are the key properties of N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane?
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 467.74 g/mol, XLogP of 7.56, 21 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 175487759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).