N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

C14H26N2 — CID 43195000

IUPACN-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H26N2/c1-11-2-4-13(5-3-11)15-14-10-16-8-6-12(14)7-9-16/h11-15H,2-10H2,1H3
InChIKeyFHYYCDQSLBVNKT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds2

About N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43195000) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43195000
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H26N2/c1-11-2-4-13(5-3-11)15-14-10-16-8-6-12(14)7-9-16/h11-15H,2-10H2,1H3
InChIKeyFHYYCDQSLBVNKT-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80692543
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
N-(1-azabicyclo[2.2.2]octan-3-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472361
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43763480
N-(5,5-dimethylthian-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 79956040
(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
CID 58707401
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
5-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-2-one
CID 63663308
4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
CID 105366142

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43195000) is N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is CC1CCC(NC2CN3CCC2CC3)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FHYYCDQSLBVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-2-4-13(5-3-11)15-14-10-16-8-6-12(14)7-9-16/h11-15H,2-10H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43195000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).