8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C10H20N2 — CID 18731882

IUPAC8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-4-5-10(7-12)11(9)3/h8-10H,4-7H2,1-3H3
InChIKeyXPXILEZLUQUOLX-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.17
Rot. Bonds1

About 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 18731882) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID18731882
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2/c1-8(2)12-6-9-4-5-10(7-12)11(9)3/h8-10H,4-7H2,1-3H3
InChIKeyXPXILEZLUQUOLX-UHFFFAOYSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 18731882) is 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is XPXILEZLUQUOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-6-9-4-5-10(7-12)11(9)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 168.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 18731882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).