(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine

C12H22N2O — CID 6380954

IUPAC(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine
SMILESO/N=C1/CCCCC1N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-14/h12,15H,1-10H2/b13-11-
InChIKeyKFRJJSBGGIDOSI-QBFSEMIESA-N
MW210.32 g/mol
LogP2.64
Rot. Bonds1

About (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine

(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine (PubChem CID 6380954) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine
PubChem CID6380954
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine
SMILESO/N=C1/CCCCC1N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-14/h12,15H,1-10H2/b13-11-
InChIKeyKFRJJSBGGIDOSI-QBFSEMIESA-N
XLogP2.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine (CID 6380954) is (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine is O/N=C1/CCCCC1N1CCCCCC1.
What is the InChIKey of (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine?
The InChIKey is KFRJJSBGGIDOSI-QBFSEMIESA-N. The full InChI is InChI=1S/C12H22N2O/c15-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-14/h12,15H,1-10H2/b13-11-.
What are the key properties of (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine?
(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine has a molecular weight of 210.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 6380954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).