3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine

C12H23NO — CID 155238127

IUPAC3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine
SMILESCC12CCC(CCCN)OCCC1C2
InChIInChI=1S/C12H23NO/c1-12-6-4-11(3-2-7-13)14-8-5-10(12)9-12/h10-11H,2-9,13H2,1H3
InChIKeyTWQJSJIDEKPPOL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds3

About 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine

3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine (PubChem CID 155238127) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine
PubChem CID155238127
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine
SMILESCC12CCC(CCCN)OCCC1C2
InChIInChI=1S/C12H23NO/c1-12-6-4-11(3-2-7-13)14-8-5-10(12)9-12/h10-11H,2-9,13H2,1H3
InChIKeyTWQJSJIDEKPPOL-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine?
The IUPAC name of 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine (CID 155238127) is 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine.
What is the SMILES notation for 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine?
The canonical SMILES for 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine is CC12CCC(CCCN)OCCC1C2.
What is the InChIKey of 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine?
The InChIKey is TWQJSJIDEKPPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12-6-4-11(3-2-7-13)14-8-5-10(12)9-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine?
3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxabicyclo[6.1.0]nonan-5-yl)propan-1-amine is sourced from PubChem (CID 155238127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).