2-propan-2-yl-1-azabicyclo[2.2.2]octane

C10H19N — CID 18727324

IUPAC2-propan-2-yl-1-azabicyclo[2.2.2]octane
SMILESCC(C)C1CC2CCN1CC2
InChIInChI=1S/C10H19N/c1-8(2)10-7-9-3-5-11(10)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyHVDRVNDNXHCTJP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds1

About 2-propan-2-yl-1-azabicyclo[2.2.2]octane

2-propan-2-yl-1-azabicyclo[2.2.2]octane (PubChem CID 18727324) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-propan-2-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-propan-2-yl-1-azabicyclo[2.2.2]octane
PubChem CID18727324
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-propan-2-yl-1-azabicyclo[2.2.2]octane
SMILESCC(C)C1CC2CCN1CC2
InChIInChI=1S/C10H19N/c1-8(2)10-7-9-3-5-11(10)6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyHVDRVNDNXHCTJP-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-propan-2-yl-1-azabicyclo[2.2.2]octane (CID 18727324) is 2-propan-2-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-propan-2-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-propan-2-yl-1-azabicyclo[2.2.2]octane is CC(C)C1CC2CCN1CC2.
What is the InChIKey of 2-propan-2-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is HVDRVNDNXHCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)10-7-9-3-5-11(10)6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-azabicyclo[2.2.2]octane?
2-propan-2-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 153.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 18727324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).