N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine

C12H23N — CID 14706528

IUPACN,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine
SMILESCNC1(C)C2CCC(CC2)C1(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-5-7-10(8-6-9)12(11,3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyMOSWWUHQGFFWIJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds1

About N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine

N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine (PubChem CID 14706528) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine
PubChem CID14706528
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine
SMILESCNC1(C)C2CCC(CC2)C1(C)C
InChIInChI=1S/C12H23N/c1-11(2)9-5-7-10(8-6-9)12(11,3)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyMOSWWUHQGFFWIJ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,5-dimethyl-adamantan-1-amine
CID 5276625
3-butyl-N-methyl-adamantan-1-amine
CID 5276637
3-isopropyl-N-methyl-adamantan-1-amine
CID 5276638
N,3,5-Trimethyltricyclo[3.3.1.13,7]decan-1-amine
CID 5276622
2,2-diethyl-N-methyladamantan-1-amine
CID 71450359
N,N,2,2-tetramethyladamantan-1-amine
CID 71459393
N,2,2-trimethyladamantan-1-amine
CID 71461153
N-ethyl-2,2-dimethyladamantan-1-amine
CID 71453986
(3S,5R)-N,3,5-trimethyladamantan-1-amine
CID 55278534
2-(1-adamantyl)-N-methyl-propan-2-amine
CID 3010141
2-(1-adamantyl)-N-ethyl-propan-2-amine
CID 3010142
Tricyclo[3.3.1.1~3,7~]decan-1-amine, N,3,5-trimethyl-, conjugate acid
CID 5276621

Frequently Asked Questions

What is the IUPAC name of N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine?
The IUPAC name of N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine (CID 14706528) is N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine is CNC1(C)C2CCC(CC2)C1(C)C.
What is the InChIKey of N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine?
The InChIKey is MOSWWUHQGFFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)9-5-7-10(8-6-9)12(11,3)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine?
N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,3-tetramethylbicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 14706528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).