N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine

C10H15N3O — CID 2815867

IUPACN-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine
SMILESON=C1CCCCC1Cn1ccnc1
InChIInChI=1S/C10H15N3O/c14-12-10-4-2-1-3-9(10)7-13-6-5-11-8-13/h5-6,8-9,14H,1-4,7H2
InChIKeyYAJDOQSLRRKPHY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.90
Rot. Bonds2

About N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine

N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine (PubChem CID 2815867) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine
PubChem CID2815867
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine
SMILESON=C1CCCCC1Cn1ccnc1
InChIInChI=1S/C10H15N3O/c14-12-10-4-2-1-3-9(10)7-13-6-5-11-8-13/h5-6,8-9,14H,1-4,7H2
InChIKeyYAJDOQSLRRKPHY-UHFFFAOYSA-N
XLogP1.90
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine?
The IUPAC name of N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine (CID 2815867) is N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine is ON=C1CCCCC1Cn1ccnc1.
What is the InChIKey of N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine?
The InChIKey is YAJDOQSLRRKPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-12-10-4-2-1-3-9(10)7-13-6-5-11-8-13/h5-6,8-9,14H,1-4,7H2.
What are the key properties of N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine?
N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 2815867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).