(NE)-N-(2-methylcyclohexylidene)hydroxylamine

C7H13NO — CID 5382393

IUPAC(NE)-N-(2-methylcyclohexylidene)hydroxylamine
SMILESCC1CCCC/C1=N\O
InChIInChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7+
InChIKeyMDIFHVYPHRHKLB-BQYQJAHWSA-N
MW127.19 g/mol
LogP2.03
Rot. Bonds

About (NE)-N-(2-methylcyclohexylidene)hydroxylamine

(NE)-N-(2-methylcyclohexylidene)hydroxylamine (PubChem CID 5382393) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (NE)-N-(2-methylcyclohexylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methylcyclohexylidene)hydroxylamine
PubChem CID5382393
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(NE)-N-(2-methylcyclohexylidene)hydroxylamine
SMILESCC1CCCC/C1=N\O
InChIInChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7+
InChIKeyMDIFHVYPHRHKLB-BQYQJAHWSA-N
XLogP2.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-methylcyclohexylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methylcyclohexylidene)hydroxylamine (CID 5382393) is (NE)-N-(2-methylcyclohexylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methylcyclohexylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methylcyclohexylidene)hydroxylamine is CC1CCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-methylcyclohexylidene)hydroxylamine?
The InChIKey is MDIFHVYPHRHKLB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7+.
What are the key properties of (NE)-N-(2-methylcyclohexylidene)hydroxylamine?
(NE)-N-(2-methylcyclohexylidene)hydroxylamine has a molecular weight of 127.19 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methylcyclohexylidene)hydroxylamine is sourced from PubChem (CID 5382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).