8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane

C9H18N2O — CID 146626581

IUPAC8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1CC2COC(C1)N2C
InChIInChI=1S/C9H18N2O/c1-3-4-11-5-8-7-12-9(6-11)10(8)2/h8-9H,3-7H2,1-2H3
InChIKeyYIOWZJBHGMOZSK-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.37
Rot. Bonds2

About 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane (PubChem CID 146626581) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane
PubChem CID146626581
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane
SMILESCCCN1CC2COC(C1)N2C
InChIInChI=1S/C9H18N2O/c1-3-4-11-5-8-7-12-9(6-11)10(8)2/h8-9H,3-7H2,1-2H3
InChIKeyYIOWZJBHGMOZSK-UHFFFAOYSA-N
XLogP0.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane (CID 146626581) is 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane is CCCN1CC2COC(C1)N2C.
What is the InChIKey of 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is YIOWZJBHGMOZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-11-5-8-7-12-9(6-11)10(8)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 170.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propyl-6-oxa-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 146626581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).