N-hexan-3-yl-N-oxidohydroxylamine

C6H14NO2- — CID 163692081

IUPACN-hexan-3-yl-N-oxidohydroxylamine
SMILESCCCC(CC)N([O-])O
InChIInChI=1S/C6H14NO2/c1-3-5-6(4-2)7(8)9/h6,8H,3-5H2,1-2H3/q-1
InChIKeyBHLOVYZSHRTSRJ-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.75
Rot. Bonds4

About N-hexan-3-yl-N-oxidohydroxylamine

N-hexan-3-yl-N-oxidohydroxylamine (PubChem CID 163692081) has the molecular formula C6H14NO2- and a molecular weight of 132.18 g/mol. Its IUPAC name is N-hexan-3-yl-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-hexan-3-yl-N-oxidohydroxylamine
PubChem CID163692081
Molecular FormulaC6H14NO2-
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC NameN-hexan-3-yl-N-oxidohydroxylamine
SMILESCCCC(CC)N([O-])O
InChIInChI=1S/C6H14NO2/c1-3-5-6(4-2)7(8)9/h6,8H,3-5H2,1-2H3/q-1
InChIKeyBHLOVYZSHRTSRJ-UHFFFAOYSA-N
XLogP1.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(hexan-3-yl)carbamic acid
CID 88787380
N,N-dihydroxynonan-4-amine
CID 139703467
1-[ethyl(heptan-4-yl)amino]propan-1-ol
CID 88539967
2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
CID 155282396
[hexan-3-yl(methyl)amino]methanesulfonic acid
CID 89376589
2-(dimethylamino)pentane-1-thiol
CID 116908743
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
N,N-dihydroxypentan-2-amine
CID 87329779
N-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792
N-icosan-3-yl-N-methylhydroxylamine
CID 90035828
ethanethiol;ethene;formaldehyde;N-hexan-3-yl-N-methylacetamide
CID 143678118
2-[hexan-3-yl(methyl)amino]ethanesulfonic acid
CID 142409189

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-N-oxidohydroxylamine?
The IUPAC name of N-hexan-3-yl-N-oxidohydroxylamine (CID 163692081) is N-hexan-3-yl-N-oxidohydroxylamine.
What is the SMILES notation for N-hexan-3-yl-N-oxidohydroxylamine?
The canonical SMILES for N-hexan-3-yl-N-oxidohydroxylamine is CCCC(CC)N([O-])O.
What is the InChIKey of N-hexan-3-yl-N-oxidohydroxylamine?
The InChIKey is BHLOVYZSHRTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-3-5-6(4-2)7(8)9/h6,8H,3-5H2,1-2H3/q-1.
What are the key properties of N-hexan-3-yl-N-oxidohydroxylamine?
N-hexan-3-yl-N-oxidohydroxylamine has a molecular weight of 132.18 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-N-oxidohydroxylamine is sourced from PubChem (CID 163692081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).