N-(octadecylamino)oxyoctadecan-1-amine

C36H76N2O — CID 57437992

IUPACN-(octadecylamino)oxyoctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNONCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3
InChIKeyMYCBTJXDSCLUTE-UHFFFAOYSA-N
MW553.02 g/mol
LogP12.54
Rot. Bonds36

About N-(octadecylamino)oxyoctadecan-1-amine

N-(octadecylamino)oxyoctadecan-1-amine (PubChem CID 57437992) has the molecular formula C36H76N2O and a molecular weight of 553.02 g/mol. Its IUPAC name is N-(octadecylamino)oxyoctadecan-1-amine.

Molecular Properties

Compound NameN-(octadecylamino)oxyoctadecan-1-amine
PubChem CID57437992
Molecular FormulaC36H76N2O
Molecular Weight553.02 g/mol
Exact Mass552.60
IUPAC NameN-(octadecylamino)oxyoctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNONCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3
InChIKeyMYCBTJXDSCLUTE-UHFFFAOYSA-N
XLogP12.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.02
LogP ≤ 512.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-methoxydodecan-1-amine
CID 14131600
N-hydroperoxynonan-1-amine
CID 173164442
O-(octylamino)hydroxylamine
CID 118072495
N-butoxydecan-1-amine
CID 154317996
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
CID 174727700
CID 174727700
decane;ruthenium
CID 160818595
N-bromooctan-1-amine
CID 89240139
N-bromopentadecan-1-amine
CID 174706274
N-hexyltridecan-1-amine
CID 87659278
1-decyl-2-octylhydrazine
CID 154085192

Frequently Asked Questions

What is the IUPAC name of N-(octadecylamino)oxyoctadecan-1-amine?
The IUPAC name of N-(octadecylamino)oxyoctadecan-1-amine (CID 57437992) is N-(octadecylamino)oxyoctadecan-1-amine.
What is the SMILES notation for N-(octadecylamino)oxyoctadecan-1-amine?
The canonical SMILES for N-(octadecylamino)oxyoctadecan-1-amine is CCCCCCCCCCCCCCCCCCNONCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(octadecylamino)oxyoctadecan-1-amine?
The InChIKey is MYCBTJXDSCLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3.
What are the key properties of N-(octadecylamino)oxyoctadecan-1-amine?
N-(octadecylamino)oxyoctadecan-1-amine has a molecular weight of 553.02 g/mol, XLogP of 12.54, 36 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(octadecylamino)oxyoctadecan-1-amine is sourced from PubChem (CID 57437992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).