3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

C15H28N2 — CID 115313832

IUPAC3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CC(C)CC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C15H28N2/c1-11-7-12(2)9-15(8-11)17-6-5-13-3-4-14(10-17)16-13/h11-16H,3-10H2,1-2H3
InChIKeyPXWVYDZSSGEFKT-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds1

About 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313832) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313832
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CC(C)CC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C15H28N2/c1-11-7-12(2)9-15(8-11)17-6-5-13-3-4-14(10-17)16-13/h11-16H,3-10H2,1-2H3
InChIKeyPXWVYDZSSGEFKT-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (CID 115313832) is 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is CC1CC(C)CC(N2CCC3CCC(C2)N3)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is PXWVYDZSSGEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11-7-12(2)9-15(8-11)17-6-5-13-3-4-14(10-17)16-13/h11-16H,3-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 236.40 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).