3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C13H24N2O — CID 178050456

IUPAC3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C13H24N2O/c1-10(2)15-11-3-4-12(15)8-14(7-11)13-5-6-16-9-13/h10-13H,3-9H2,1-2H3
InChIKeyNCTMLFUPPCEFOL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.33
Rot. Bonds2

About 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 178050456) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID178050456
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C13H24N2O/c1-10(2)15-11-3-4-12(15)8-14(7-11)13-5-6-16-9-13/h10-13H,3-9H2,1-2H3
InChIKeyNCTMLFUPPCEFOL-UHFFFAOYSA-N
XLogP1.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methyl-3-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 70847448
3-(2-Methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 89036630
3-Tetrahydrofuran-3-yl-3,8-diazabicyclo[3.2.1]octane
CID 90414014
8-Methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 90440080
3-(Oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine
CID 123837497
3-(2-Ethoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 134374636
8-Methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane
CID 146626581
4-(1-Methylpiperidin-3-yl)-1,4-oxazepane
CID 146700414
8-Methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane
CID 149282469
8-(2-Methoxyethyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 153454068
4-Methyl-3-(1-methylpyrrolidin-2-yl)morpholine
CID 154506042
2-(2-Ethoxyethyl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 154684414

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 178050456) is 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CN(C1CCOC1)C2.
What is the InChIKey of 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is NCTMLFUPPCEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)15-11-3-4-12(15)8-14(7-11)13-5-6-16-9-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 224.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 178050456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).