butane;N,N-dioctylhydroxylamine

C20H45NO — CID 166773376

IUPACbutane;N,N-dioctylhydroxylamine
SMILESCCCC.CCCCCCCCN(O)CCCCCCCC
InChIInChI=1S/C16H35NO.C4H10/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;1-3-4-2/h18H,3-16H2,1-2H3;3-4H2,1-2H3
InChIKeyCPLFGUPYLMAHDQ-UHFFFAOYSA-N
MW315.59 g/mol
LogP7.20
Rot. Bonds15

About butane;N,N-dioctylhydroxylamine

butane;N,N-dioctylhydroxylamine (PubChem CID 166773376) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is butane;N,N-dioctylhydroxylamine.

Molecular Properties

Compound Namebutane;N,N-dioctylhydroxylamine
PubChem CID166773376
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Namebutane;N,N-dioctylhydroxylamine
SMILESCCCC.CCCCCCCCN(O)CCCCCCCC
InChIInChI=1S/C16H35NO.C4H10/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;1-3-4-2/h18H,3-16H2,1-2H3;3-4H2,1-2H3
InChIKeyCPLFGUPYLMAHDQ-UHFFFAOYSA-N
XLogP7.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 57.20
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

N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
N,N-dihexylhydroxylamine;propane
CID 166773382
N-[3-(dimethylamino)propyl]-N-octadecylhydroxylamine
CID 129186386
N-methyl-N-nonadecylhydroxylamine
CID 87390757
N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
CID 134498270
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
CID 174830019
methanediol;nonane
CID 159588378
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898

Frequently Asked Questions

What is the IUPAC name of butane;N,N-dioctylhydroxylamine?
The IUPAC name of butane;N,N-dioctylhydroxylamine (CID 166773376) is butane;N,N-dioctylhydroxylamine.
What is the SMILES notation for butane;N,N-dioctylhydroxylamine?
The canonical SMILES for butane;N,N-dioctylhydroxylamine is CCCC.CCCCCCCCN(O)CCCCCCCC.
What is the InChIKey of butane;N,N-dioctylhydroxylamine?
The InChIKey is CPLFGUPYLMAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.C4H10/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;1-3-4-2/h18H,3-16H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;N,N-dioctylhydroxylamine?
butane;N,N-dioctylhydroxylamine has a molecular weight of 315.59 g/mol, XLogP of 7.20, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N-dioctylhydroxylamine is sourced from PubChem (CID 166773376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).