6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C15H21NO — CID 62141015

IUPAC6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1OC1CCC1
InChIInChI=1S/C15H21NO/c16-15-13-9-2-1-5-11(13)6-3-10-14(15)17-12-7-4-8-12/h1-2,5,9,12,14-15H,3-4,6-8,10,16H2
InChIKeyCEPGRCISSDLDQE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds2

About 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 62141015) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID62141015
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1OC1CCC1
InChIInChI=1S/C15H21NO/c16-15-13-9-2-1-5-11(13)6-3-10-14(15)17-12-7-4-8-12/h1-2,5,9,12,14-15H,3-4,6-8,10,16H2
InChIKeyCEPGRCISSDLDQE-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62671113
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
CID 59863888
CID 59863888
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102721883

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 62141015) is 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1OC1CCC1.
What is the InChIKey of 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is CEPGRCISSDLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15-13-9-2-1-5-11(13)6-3-10-14(15)17-12-7-4-8-12/h1-2,5,9,12,14-15H,3-4,6-8,10,16H2.
What are the key properties of 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 62141015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).