(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine

C10H19N3O — CID 137297935

IUPAC(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine
SMILESCC(C)(C)C1CCC(=N\O)/C(=N\N)C1
InChIInChI=1S/C10H19N3O/c1-10(2,3)7-4-5-8(13-14)9(6-7)12-11/h7,14H,4-6,11H2,1-3H3/b12-9-,13-8+
InChIKeyAEZLQEIFWYPKDS-SIMOKGRJSA-N
MW197.28 g/mol
LogP1.98
Rot. Bonds

About (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine

(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine (PubChem CID 137297935) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine
PubChem CID137297935
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine
SMILESCC(C)(C)C1CCC(=N\O)/C(=N\N)C1
InChIInChI=1S/C10H19N3O/c1-10(2,3)7-4-5-8(13-14)9(6-7)12-11/h7,14H,4-6,11H2,1-3H3/b12-9-,13-8+
InChIKeyAEZLQEIFWYPKDS-SIMOKGRJSA-N
XLogP1.98
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

4-(Tert-butyl)cyclohexanone oxime
CID 223594
(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
CID 6029164
4-tert-butyl-N-hydroxycyclohexan-1-imine oxide
CID 13552360
4-Isopropylcyclohexanone oxime
CID 23378571
(NE)-N-(2-tert-butylcyclohexylidene)hydroxylamine
CID 59910032
2,5-Di-tert.-butyl-cyclohexanonoxim
CID 129628933
2-n-Butyl-2,6-dimethylcyclohexanone oxime
CID 129775980
(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine
CID 134834212
(NZ)-N-[(1S,3Z,4R)-3-hydrazinylidene-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 137278545
Cyclohexanone, 4-(1,1-dimethylethyl)-, hydrazone
CID 13974063
(NE)-N-[(2S,4S)-4-tert-butyl-2-fluorocyclohexylidene]hydroxylamine
CID 177608159
(NE)-N-[(2R,4S)-4-tert-butyl-2-fluorocyclohexylidene]hydroxylamine
CID 177620278

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine (CID 137297935) is (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine is CC(C)(C)C1CCC(=N\O)/C(=N\N)C1.
What is the InChIKey of (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine?
The InChIKey is AEZLQEIFWYPKDS-SIMOKGRJSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)7-4-5-8(13-14)9(6-7)12-11/h7,14H,4-6,11H2,1-3H3/b12-9-,13-8+.
What are the key properties of (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine?
(NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine has a molecular weight of 197.28 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-4-tert-butyl-2-hydrazinylidenecyclohexylidene]hydroxylamine is sourced from PubChem (CID 137297935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).