(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride

C6H13ClN2O — CID 13050726

IUPAC(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride
SMILESCl.NC1CCCC/C1=N\O
InChIInChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-6(5)8-9;/h5,9H,1-4,7H2;1H/b8-6+;
InChIKeyVVPMGBRTRAJLKG-WVLIHFOGSA-N
MW164.64 g/mol
LogP1.14
Rot. Bonds

About (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride

(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride (PubChem CID 13050726) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride
PubChem CID13050726
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride
SMILESCl.NC1CCCC/C1=N\O
InChIInChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-6(5)8-9;/h5,9H,1-4,7H2;1H/b8-6+;
InChIKeyVVPMGBRTRAJLKG-WVLIHFOGSA-N
XLogP1.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Hydroxyaminocyclohexanone oxime
CID 379374
2-Iminocyclohexan-1-amine
CID 23599757
3-Iminocyclohexan-1-amine
CID 54522062
[(4-Aminocyclohexylidene)amino] hypofluorite
CID 142872847
2-(Hydroxyamino)cyclohexanone oxime
CID 5468087
(NZ)-N-[2-(hydroxyamino)cyclohexylidene]hydroxylamine
CID 5494109
(NE)-N-(2-aminocyclohexylidene)hydroxylamine
CID 13050725
(NZ)-N-(2-aminocyclohexylidene)hydroxylamine
CID 20451939
4-Methoxyiminocyclohexan-1-amine
CID 55284779
N-(2-iminocyclohexyl)hydroxylamine
CID 56616588
4-Iminocyclohexan-1-amine
CID 57170566
N-[(4-aminocyclohexylidene)amino]hydroxylamine
CID 57272324

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride?
The IUPAC name of (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride (CID 13050726) is (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride?
The canonical SMILES for (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride is Cl.NC1CCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride?
The InChIKey is VVPMGBRTRAJLKG-WVLIHFOGSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-6(5)8-9;/h5,9H,1-4,7H2;1H/b8-6+;.
What are the key properties of (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride?
(NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-aminocyclohexylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 13050726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).