4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine

C15H25N3 — CID 56617196

IUPAC4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine
SMILESCCCCCCCC(C)/N=C1/C=CC(=[N+]=[N-])CC1
InChIInChI=1S/C15H25N3/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(18-16)12-10-14/h9,11,13H,3-8,10,12H2,1-2H3/b17-14-
InChIKeyJEQVTKRACNOLCV-VKAVYKQESA-N
MW247.39 g/mol
LogP4.20
Rot. Bonds7

About 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine

4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine (PubChem CID 56617196) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine
PubChem CID56617196
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine
SMILESCCCCCCCC(C)/N=C1/C=CC(=[N+]=[N-])CC1
InChIInChI=1S/C15H25N3/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(18-16)12-10-14/h9,11,13H,3-8,10,12H2,1-2H3/b17-14-
InChIKeyJEQVTKRACNOLCV-VKAVYKQESA-N
XLogP4.20
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Koreenceine A
CID 146683591
2-butyl-5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
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1-N,4-N-di(octan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 18172614
N-cyclohexyl-4-diazocyclohex-2-en-1-imine
CID 57075217
5-hex-1-enyl-2-pentyl-3,4-dihydro-2H-pyrrole
CID 70622203
1-N,4-N-dioctylcyclohexa-2,5-diene-1,4-diimine
CID 90214436
5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine
CID 123888698
2-[(Z)-prop-1-enyl]-1-azacyclododecene
CID 124128225
7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine
CID 142050803
10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine
CID 154933342
2-[(E)-prop-1-enyl]-1-azacyclododecene
CID 156343471
9-[(E)-prop-1-enyl]-3,4,5,6,7,8-hexahydro-2H-azonine
CID 156426426

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine?
The IUPAC name of 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine (CID 56617196) is 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine?
The canonical SMILES for 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine is CCCCCCCC(C)/N=C1/C=CC(=[N+]=[N-])CC1.
What is the InChIKey of 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine?
The InChIKey is JEQVTKRACNOLCV-VKAVYKQESA-N. The full InChI is InChI=1S/C15H25N3/c1-3-4-5-6-7-8-13(2)17-14-9-11-15(18-16)12-10-14/h9,11,13H,3-8,10,12H2,1-2H3/b17-14-.
What are the key properties of 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine?
4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine has a molecular weight of 247.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N-nonan-2-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 56617196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).