4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete

C12H15N — CID 115420913

IUPAC4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete
SMILESCC1CC2CNC2c2ccccc21
InChIInChI=1S/C12H15N/c1-8-6-9-7-13-12(9)11-5-3-2-4-10(8)11/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyKZHGBCAZWSMBRW-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.45
Rot. Bonds

About 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete

4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete (PubChem CID 115420913) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete.

Molecular Properties

Compound Name4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete
PubChem CID115420913
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete
SMILESCC1CC2CNC2c2ccccc21
InChIInChI=1S/C12H15N/c1-8-6-9-7-13-12(9)11-5-3-2-4-10(8)11/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyKZHGBCAZWSMBRW-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete?
The IUPAC name of 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete (CID 115420913) is 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete.
What is the SMILES notation for 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete?
The canonical SMILES for 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete is CC1CC2CNC2c2ccccc21.
What is the InChIKey of 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete?
The InChIKey is KZHGBCAZWSMBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-6-9-7-13-12(9)11-5-3-2-4-10(8)11/h2-5,8-9,12-13H,6-7H2,1H3.
What are the key properties of 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete?
4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete has a molecular weight of 173.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,2a,3,4,8b-hexahydronaphtho[1,2-b]azete is sourced from PubChem (CID 115420913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).