(3-cyclohexyl-2-diazopropyl)cyclohexane

C15H26N2 — CID 20728935

IUPAC(3-cyclohexyl-2-diazopropyl)cyclohexane
SMILES[N-]=[N+]=C(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C15H26N2/c16-17-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyKRAJRPWWIOADBE-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.60
Rot. Bonds4

About (3-cyclohexyl-2-diazopropyl)cyclohexane

(3-cyclohexyl-2-diazopropyl)cyclohexane (PubChem CID 20728935) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3-cyclohexyl-2-diazopropyl)cyclohexane.

Molecular Properties

Compound Name(3-cyclohexyl-2-diazopropyl)cyclohexane
PubChem CID20728935
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3-cyclohexyl-2-diazopropyl)cyclohexane
SMILES[N-]=[N+]=C(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C15H26N2/c16-17-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyKRAJRPWWIOADBE-UHFFFAOYSA-N
XLogP4.60
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

Diazoadamantane
CID 560893
Diazobicyclo-(2,2,2)-octane
CID 15079921
Diazobicyclohexane
CID 23314028
2-(Cyclohexylmethyl)cyclohexan-1-imine
CID 123974588
Cyclohexyl ketazine
CID 129811703
3,7-Diazobicyclo[3.3.1]nonane
CID 129881845
1-Diazoethylcyclohexane
CID 154252964
[Cyclohexyl(diazo)methyl]cyclohexane
CID 18676731
5-diazo-2,3,4,4a,6,7,8,9-octahydro-1H-benzo[7]annulen-9a-ylium
CID 19861217
3-Pentyl-6-(4-pentylcyclohexyl)-4,5-dihydropyridazine
CID 20456711
Dicyclohexylmethanimine
CID 21480220
2-[6-(2-Iminocyclohexyl)hexyl]cyclohexan-1-imine
CID 22150722

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2-diazopropyl)cyclohexane?
The IUPAC name of (3-cyclohexyl-2-diazopropyl)cyclohexane (CID 20728935) is (3-cyclohexyl-2-diazopropyl)cyclohexane.
What is the SMILES notation for (3-cyclohexyl-2-diazopropyl)cyclohexane?
The canonical SMILES for (3-cyclohexyl-2-diazopropyl)cyclohexane is [N-]=[N+]=C(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of (3-cyclohexyl-2-diazopropyl)cyclohexane?
The InChIKey is KRAJRPWWIOADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c16-17-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of (3-cyclohexyl-2-diazopropyl)cyclohexane?
(3-cyclohexyl-2-diazopropyl)cyclohexane has a molecular weight of 234.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2-diazopropyl)cyclohexane is sourced from PubChem (CID 20728935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).