[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide

C13H23N3O2-2 — CID 163793159

IUPAC[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide
SMILESCN([N-]ON([O-])C1CCCCC1)C1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-15(12-8-4-2-5-9-12)14-18-16(17)13-10-6-3-7-11-13/h2,4,12-13H,3,5-11H2,1H3/q-2
InChIKeyWOSFWTOSGJGXEI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.29
Rot. Bonds5

About [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide

[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide (PubChem CID 163793159) has the molecular formula C13H23N3O2-2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide.

Molecular Properties

Compound Name[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide
PubChem CID163793159
Molecular FormulaC13H23N3O2-2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide
SMILESCN([N-]ON([O-])C1CCCCC1)C1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-15(12-8-4-2-5-9-12)14-18-16(17)13-10-6-3-7-11-13/h2,4,12-13H,3,5-11H2,1H3/q-2
InChIKeyWOSFWTOSGJGXEI-UHFFFAOYSA-N
XLogP3.29
TPSA52.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-methylcyclohex-3-en-1-amine
CID 145406243
cyclohex-3-en-1-yl(methyl)carbamic acid
CID 141218160
N,N-diethylcyclohex-3-en-1-amine
CID 10953728
cyclododecene;cyclohexylcyclohexane
CID 173310836
4-cyclopentylcyclohexene
CID 524571
tert-butyl N-[(1R)-cyclohex-3-en-1-yl]-N-methylcarbamate
CID 170643869
(1Z)-5-methylcycloundecene
CID 22177383
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
CID 123938044
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
(1E)-4-ethylcyclononene
CID 173294851
methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate
CID 97062584

Frequently Asked Questions

What is the IUPAC name of [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide?
The IUPAC name of [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide (CID 163793159) is [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide.
What is the SMILES notation for [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide?
The canonical SMILES for [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide is CN([N-]ON([O-])C1CCCCC1)C1CC=CCC1.
What is the InChIKey of [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide?
The InChIKey is WOSFWTOSGJGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15(12-8-4-2-5-9-12)14-18-16(17)13-10-6-3-7-11-13/h2,4,12-13H,3,5-11H2,1H3/q-2.
What are the key properties of [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide?
[cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide has a molecular weight of 253.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohex-3-en-1-yl(methyl)amino]-[cyclohexyl(oxido)amino]oxyazanide is sourced from PubChem (CID 163793159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).