N-oxidocyclohexanamine

C6H12NO- — CID 18983912

IUPACN-oxidocyclohexanamine
SMILES[O-]NC1CCCCC1
InChIInChI=1S/C6H12NO/c8-7-6-4-2-1-3-5-6/h6-7H,1-5H2/q-1
InChIKeyWWLQPKVAGVJFTK-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.41
Rot. Bonds1

About N-oxidocyclohexanamine

N-oxidocyclohexanamine (PubChem CID 18983912) has the molecular formula C6H12NO- and a molecular weight of 114.17 g/mol. Its IUPAC name is N-oxidocyclohexanamine.

Molecular Properties

Compound NameN-oxidocyclohexanamine
PubChem CID18983912
Molecular FormulaC6H12NO-
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC NameN-oxidocyclohexanamine
SMILES[O-]NC1CCCCC1
InChIInChI=1S/C6H12NO/c8-7-6-4-2-1-3-5-6/h6-7H,1-5H2/q-1
InChIKeyWWLQPKVAGVJFTK-UHFFFAOYSA-N
XLogP1.41
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-di(cyclononyl)hydrazine
CID 155042261
N-methylcyclohexanamine
CID 7514
N-cyclopropylcyclododecanamine
CID 16776852
N-methylcyclotetradecanamine
CID 59468246
N-cyclohexyl-N-deuteriocyclohexanamine
CID 175910061
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-methylcyclohexanamine;dihydrochloride
CID 140514199
CID 178075787
CID 178075787
N-chlorocyclohexanamine;platinum
CID 161373787
cyclohexylhydrazine;dihydrochloride
CID 45074971
N-cyclohexylhydroxylamine;dihydrochloride
CID 175125547
N-cyclohexylhydroxylamine;molecular hydrogen
CID 145409846

Frequently Asked Questions

What is the IUPAC name of N-oxidocyclohexanamine?
The IUPAC name of N-oxidocyclohexanamine (CID 18983912) is N-oxidocyclohexanamine.
What is the SMILES notation for N-oxidocyclohexanamine?
The canonical SMILES for N-oxidocyclohexanamine is [O-]NC1CCCCC1.
What is the InChIKey of N-oxidocyclohexanamine?
The InChIKey is WWLQPKVAGVJFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c8-7-6-4-2-1-3-5-6/h6-7H,1-5H2/q-1.
What are the key properties of N-oxidocyclohexanamine?
N-oxidocyclohexanamine has a molecular weight of 114.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidocyclohexanamine is sourced from PubChem (CID 18983912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).