N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H28N2 — CID 43195015

IUPACN-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1CCCC(C)C1NC1CN2CCC1CC2
InChIInChI=1S/C15H28N2/c1-11-4-3-5-12(2)15(11)16-14-10-17-8-6-13(14)7-9-17/h11-16H,3-10H2,1-2H3
InChIKeyLABIRVUHNMFDIS-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.49
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43195015) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43195015
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1CCCC(C)C1NC1CN2CCC1CC2
InChIInChI=1S/C15H28N2/c1-11-4-3-5-12(2)15(11)16-14-10-17-8-6-13(14)7-9-17/h11-16H,3-10H2,1-2H3
InChIKeyLABIRVUHNMFDIS-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43195015) is N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is CC1CCCC(C)C1NC1CN2CCC1CC2.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is LABIRVUHNMFDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11-4-3-5-12(2)15(11)16-14-10-17-8-6-13(14)7-9-17/h11-16H,3-10H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).