N-oxidohexatriacontan-1-amine

C36H74NO- — CID 141154892

IUPACN-oxidohexatriacontan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN[O-]
InChIInChI=1S/C36H74NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h37H,2-36H2,1H3/q-1
InChIKeyJIMRBBYOFRJPRB-UHFFFAOYSA-N
MW536.99 g/mol
LogP13.36
Rot. Bonds35

About N-oxidohexatriacontan-1-amine

N-oxidohexatriacontan-1-amine (PubChem CID 141154892) has the molecular formula C36H74NO- and a molecular weight of 536.99 g/mol. Its IUPAC name is N-oxidohexatriacontan-1-amine.

Molecular Properties

Compound NameN-oxidohexatriacontan-1-amine
PubChem CID141154892
Molecular FormulaC36H74NO-
Molecular Weight536.99 g/mol
Exact Mass536.58
IUPAC NameN-oxidohexatriacontan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN[O-]
InChIInChI=1S/C36H74NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h37H,2-36H2,1H3/q-1
InChIKeyJIMRBBYOFRJPRB-UHFFFAOYSA-N
XLogP13.36
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.99
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(oxidoamino)decan-4-one
CID 143220146
N-hexyltridecan-1-amine
CID 87659278
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-methyltriacontan-1-amine
CID 19840895
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
1-butyl-2-octylhydrazine
CID 88598240
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-oxidohexatriacontan-1-amine?
The IUPAC name of N-oxidohexatriacontan-1-amine (CID 141154892) is N-oxidohexatriacontan-1-amine.
What is the SMILES notation for N-oxidohexatriacontan-1-amine?
The canonical SMILES for N-oxidohexatriacontan-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN[O-].
What is the InChIKey of N-oxidohexatriacontan-1-amine?
The InChIKey is JIMRBBYOFRJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38/h37H,2-36H2,1H3/q-1.
What are the key properties of N-oxidohexatriacontan-1-amine?
N-oxidohexatriacontan-1-amine has a molecular weight of 536.99 g/mol, XLogP of 13.36, 35 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidohexatriacontan-1-amine is sourced from PubChem (CID 141154892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).