6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane

C19H27N — CID 166872891

IUPAC6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
SMILESCc1ccc2c(c1)CCC(N1CCC3(CCC3)C1)CC2
InChIInChI=1S/C19H27N/c1-15-3-4-16-5-7-18(8-6-17(16)13-15)20-12-11-19(14-20)9-2-10-19/h3-4,13,18H,2,5-12,14H2,1H3
InChIKeyPMWYCXNQLCLZGP-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.12
Rot. Bonds1

About 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane

6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane (PubChem CID 166872891) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
PubChem CID166872891
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
SMILESCc1ccc2c(c1)CCC(N1CCC3(CCC3)C1)CC2
InChIInChI=1S/C19H27N/c1-15-3-4-16-5-7-18(8-6-17(16)13-15)20-12-11-19(14-20)9-2-10-19/h3-4,13,18H,2,5-12,14H2,1H3
InChIKeyPMWYCXNQLCLZGP-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane (CID 166872891) is 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane is Cc1ccc2c(c1)CCC(N1CCC3(CCC3)C1)CC2.
What is the InChIKey of 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane?
The InChIKey is PMWYCXNQLCLZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-15-3-4-16-5-7-18(8-6-17(16)13-15)20-12-11-19(14-20)9-2-10-19/h3-4,13,18H,2,5-12,14H2,1H3.
What are the key properties of 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane?
6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane has a molecular weight of 269.43 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 166872891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).