ethane;N-hexylhydroxylamine

C8H21NO — CID 23139656

IUPACethane;N-hexylhydroxylamine
SMILESCC.CCCCCCNO
InChIInChI=1S/C6H15NO.C2H6/c1-2-3-4-5-6-7-8;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyXNDKYMIQHJYXBX-UHFFFAOYSA-N
MW147.26 g/mol
LogP2.57
Rot. Bonds5

About ethane;N-hexylhydroxylamine

ethane;N-hexylhydroxylamine (PubChem CID 23139656) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is ethane;N-hexylhydroxylamine.

Molecular Properties

Compound Nameethane;N-hexylhydroxylamine
PubChem CID23139656
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Nameethane;N-hexylhydroxylamine
SMILESCC.CCCCCCNO
InChIInChI=1S/C6H15NO.C2H6/c1-2-3-4-5-6-7-8;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyXNDKYMIQHJYXBX-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
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

azane;N-hexylhydroxylamine;molecular hydrogen
CID 162388003
N-[(Z)-octadec-9-enyl]hydroxylamine
CID 87125672
N,N-diethylhydroxylamine;N-octylhydroxylamine
CID 88620060
ethane;octadecane
CID 143981738
N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine
CID 167175318
1,2-diheptylhydrazine
CID 11195547
N-hexyltridecan-1-amine
CID 87659278
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-hexylhydroxylamine?
The IUPAC name of ethane;N-hexylhydroxylamine (CID 23139656) is ethane;N-hexylhydroxylamine.
What is the SMILES notation for ethane;N-hexylhydroxylamine?
The canonical SMILES for ethane;N-hexylhydroxylamine is CC.CCCCCCNO.
What is the InChIKey of ethane;N-hexylhydroxylamine?
The InChIKey is XNDKYMIQHJYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C2H6/c1-2-3-4-5-6-7-8;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;N-hexylhydroxylamine?
ethane;N-hexylhydroxylamine has a molecular weight of 147.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hexylhydroxylamine is sourced from PubChem (CID 23139656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).