N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane

C16H32N2 — CID 143143638

IUPACN,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN(C)C1CCCCC1.CN1CC2CCC1CC2
InChIInChI=1S/C8H15N.C8H17N/c1-9-6-7-2-4-8(9)5-3-7;1-9(2)8-6-4-3-5-7-8/h7-8H,2-6H2,1H3;8H,3-7H2,1-2H3
InChIKeyLFWARWSTFWNQMY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.37
Rot. Bonds1

About N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane

N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 143143638) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane
PubChem CID143143638
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN(C)C1CCCCC1.CN1CC2CCC1CC2
InChIInChI=1S/C8H15N.C8H17N/c1-9-6-7-2-4-8(9)5-3-7;1-9(2)8-6-4-3-5-7-8/h7-8H,2-6H2,1H3;8H,3-7H2,1-2H3
InChIKeyLFWARWSTFWNQMY-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

2-Azabicyclo(2.2.2)octane, 2-methyl-
CID 143251
Piperidinium, 1-(2-(cyclohexyl(cyclohexylmethyl)amino)ethyl)-1-methyl-, bromide
CID 3063254
1-Cyclohexyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2913053
1'-(3-Methylcyclohexyl)-1,4'-bipiperidine
CID 2845398
1-[4-(Trifluoromethyl)cyclohexyl]-4-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]piperidine
CID 124200269
N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]cyclohexanamine
CID 3063255
N-(cyclohexylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanamine
CID 3064282
1-[3-(2,4-Dimethylpiperidin-1-yl)propyl]-2,4-dimethylpiperidine
CID 13794407
2-Propyl-2-azabicyclo[2.2.2]octane
CID 15173898
2-Butyl-2-azabicyclo[2.2.2]octane
CID 15173899
1-(5-Methyl-2-propan-2-ylcyclohexyl)-4-[3-[1-(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]propyl]piperidine
CID 19418356
4-methyl-N,N-bis(4-methylcyclohexyl)cyclohexan-1-amine
CID 20138679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane (CID 143143638) is N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane is CN(C)C1CCCCC1.CN1CC2CCC1CC2.
What is the InChIKey of N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is LFWARWSTFWNQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H17N/c1-9-6-7-2-4-8(9)5-3-7;1-9(2)8-6-4-3-5-7-8/h7-8H,2-6H2,1H3;8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane?
N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 252.45 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 143143638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).