8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane

C10H21N2+ — CID 90395188

IUPAC8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane
SMILESCC(C)[N+]1(C)C2CCC1CNC2
InChIInChI=1S/C10H21N2/c1-8(2)12(3)9-4-5-10(12)7-11-6-9/h8-11H,4-7H2,1-3H3/q+1
InChIKeyPEFAFELCIBKJKD-UHFFFAOYSA-N
MW169.29 g/mol
LogP0.98
Rot. Bonds1

About 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane

8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane (PubChem CID 90395188) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane
PubChem CID90395188
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane
SMILESCC(C)[N+]1(C)C2CCC1CNC2
InChIInChI=1S/C10H21N2/c1-8(2)12(3)9-4-5-10(12)7-11-6-9/h8-11H,4-7H2,1-3H3/q+1
InChIKeyPEFAFELCIBKJKD-UHFFFAOYSA-N
XLogP0.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 50.98
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

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8-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane
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1-(azetidin-3-yl)ethanol;hydrochloride
CID 118703436
1-(azetidin-3-yl)ethanamine;propan-2-yloxysilane
CID 173050421
N,N-bis(3-methylbutyl)azetidin-3-amine
CID 102672532
5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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CID 18911

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane (CID 90395188) is 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane is CC(C)[N+]1(C)C2CCC1CNC2.
What is the InChIKey of 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane?
The InChIKey is PEFAFELCIBKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-8(2)12(3)9-4-5-10(12)7-11-6-9/h8-11H,4-7H2,1-3H3/q+1.
What are the key properties of 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane?
8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane has a molecular weight of 169.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-propan-2-yl-3-aza-8-azoniabicyclo[3.2.1]octane is sourced from PubChem (CID 90395188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).