N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine

C14H26N2 — CID 80692543

IUPACN-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)CCC(NC2CN3CCC2CC3)C1
InChIInChI=1S/C14H26N2/c1-14(2)6-3-12(9-14)15-13-10-16-7-4-11(13)5-8-16/h11-13,15H,3-10H2,1-2H3
InChIKeyKRTKFWGTHFPLRW-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 80692543) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID80692543
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(C)CCC(NC2CN3CCC2CC3)C1
InChIInChI=1S/C14H26N2/c1-14(2)6-3-12(9-14)15-13-10-16-7-4-11(13)5-8-16/h11-13,15H,3-10H2,1-2H3
InChIKeyKRTKFWGTHFPLRW-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

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Related Compounds

N-(5,5-dimethylthian-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 79956040
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
N-(1-azabicyclo[2.2.2]octan-3-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472361
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
N-(3,3-dimethylcyclopentyl)-1-ethylpiperidin-4-amine
CID 80705850
N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
CID 104531307
N-(3,3-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 104531259
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 80692543) is N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine is CC1(C)CCC(NC2CN3CCC2CC3)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is KRTKFWGTHFPLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2)6-3-12(9-14)15-13-10-16-7-4-11(13)5-8-16/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(3,3-dimethylcyclopentyl)-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-(3,3-dimethylcyclopentyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 80692543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).