3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane

C13H24N2 — CID 115313678

IUPAC3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
SMILESC1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C13H24N2/c1-2-4-13(5-3-1)15-9-8-11-6-7-12(10-15)14-11/h11-14H,1-10H2
InChIKeyCTMRLVAOXBORFK-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.15
Rot. Bonds1

About 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane

3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313678) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313678
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
SMILESC1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C13H24N2/c1-2-4-13(5-3-1)15-9-8-11-6-7-12(10-15)14-11/h11-14H,1-10H2
InChIKeyCTMRLVAOXBORFK-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
CID 166046474
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
CID 113284861
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83262147
3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284780
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
3-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313813
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane (CID 115313678) is 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane is C1CCC(N2CCC3CCC(C2)N3)CC1.
What is the InChIKey of 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is CTMRLVAOXBORFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-4-13(5-3-1)15-9-8-11-6-7-12(10-15)14-11/h11-14H,1-10H2.
What are the key properties of 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane?
3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 208.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).