(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium

C11H23N2+ — CID 69301855

IUPAC(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium
SMILESC[N+](C)(C)C1CC2CCC(N)(C2)C1
InChIInChI=1S/C11H23N2/c1-13(2,3)10-6-9-4-5-11(12,7-9)8-10/h9-10H,4-8,12H2,1-3H3/q+1
InChIKeyWCUGOXIAYANEEV-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.35
Rot. Bonds1

About (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium

(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium (PubChem CID 69301855) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium.

Molecular Properties

Compound Name(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium
PubChem CID69301855
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Name(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium
SMILESC[N+](C)(C)C1CC2CCC(N)(C2)C1
InChIInChI=1S/C11H23N2/c1-13(2,3)10-6-9-4-5-11(12,7-9)8-10/h9-10H,4-8,12H2,1-3H3/q+1
InChIKeyWCUGOXIAYANEEV-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.2]octan-1-amine
CID 550214
bicyclo[2.2.1]heptane-1,2-diamine;platinum
CID 88686681
2-fluorobicyclo[2.2.1]heptan-1-amine
CID 170915016
1-adamantyl(trimethyl)azanium;hydroxide;hydrate
CID 132987838
(2,2-diaminocyclopropyl)-trimethylazanium
CID 163557775
(2S)-2-aminobicyclo[3.1.1]heptane-2-carbonitrile
CID 55285576
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-4-amine
CID 167134996
(8R)-bicyclo[6.4.1]tridecan-1-amine
CID 146325535
bis(1-bicyclo[2.2.1]heptanyl)-[2-[bis(1-bicyclo[2.2.1]heptanyl)phosphanyl]ethyl]phosphane
CID 57295822
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
CID 55290522
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium?
The IUPAC name of (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium (CID 69301855) is (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium.
What is the SMILES notation for (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium?
The canonical SMILES for (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium is C[N+](C)(C)C1CC2CCC(N)(C2)C1.
What is the InChIKey of (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium?
The InChIKey is WCUGOXIAYANEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-13(2,3)10-6-9-4-5-11(12,7-9)8-10/h9-10H,4-8,12H2,1-3H3/q+1.
What are the key properties of (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium?
(1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium has a molecular weight of 183.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-bicyclo[3.2.1]octanyl)-trimethylazanium is sourced from PubChem (CID 69301855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).