2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine

C17H25NO — CID 154746055

IUPAC2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine
SMILESCC1CC(NC2CCc3ccccc3CC2)CCO1
InChIInChI=1S/C17H25NO/c1-13-12-17(10-11-19-13)18-16-8-6-14-4-2-3-5-15(14)7-9-16/h2-5,13,16-18H,6-12H2,1H3
InChIKeyOLIODLARPOPJDL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.09
Rot. Bonds2

About 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine

2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine (PubChem CID 154746055) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine
PubChem CID154746055
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine
SMILESCC1CC(NC2CCc3ccccc3CC2)CCO1
InChIInChI=1S/C17H25NO/c1-13-12-17(10-11-19-13)18-16-8-6-14-4-2-3-5-15(14)7-9-16/h2-5,13,16-18H,6-12H2,1H3
InChIKeyOLIODLARPOPJDL-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine (CID 154746055) is 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine is CC1CC(NC2CCc3ccccc3CC2)CCO1.
What is the InChIKey of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine?
The InChIKey is OLIODLARPOPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-12-17(10-11-19-13)18-16-8-6-14-4-2-3-5-15(14)7-9-16/h2-5,13,16-18H,6-12H2,1H3.
What are the key properties of 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine?
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine is sourced from PubChem (CID 154746055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).