N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine

C23H50N2O — CID 129186386

IUPACN-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine
SMILESCCCCCCCCCCCCCCCCCCN(O)CCCN(C)C
InChIInChI=1S/C23H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(26)23-20-21-24(2)3/h26H,4-23H2,1-3H3
InChIKeySLGOHRVBGZPXRU-UHFFFAOYSA-N
MW370.67 g/mol
LogP6.89
Rot. Bonds21

About N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine

N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine (PubChem CID 129186386) has the molecular formula C23H50N2O and a molecular weight of 370.67 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine
PubChem CID129186386
Molecular FormulaC23H50N2O
Molecular Weight370.67 g/mol
Exact Mass370.39
IUPAC NameN-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine
SMILESCCCCCCCCCCCCCCCCCCN(O)CCCN(C)C
InChIInChI=1S/C23H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(26)23-20-21-24(2)3/h26H,4-23H2,1-3H3
InChIKeySLGOHRVBGZPXRU-UHFFFAOYSA-N
XLogP6.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 56.89
H-Bond Donors ≤ 51
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-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
butane;N,N-dioctylhydroxylamine
CID 166773376
N,N-dihexylhydroxylamine;propane
CID 166773382
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
borane;N,N-dimethylhexan-1-amine
CID 134905026

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine (CID 129186386) is N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine is CCCCCCCCCCCCCCCCCCN(O)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine?
The InChIKey is SLGOHRVBGZPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(26)23-20-21-24(2)3/h26H,4-23H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine?
N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine has a molecular weight of 370.67 g/mol, XLogP of 6.89, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine is sourced from PubChem (CID 129186386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).