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

C17H27NO — CID 43127864

IUPAC6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCCCCOC1CCCc2ccccc2C1N
InChIInChI=1S/C17H27NO/c1-2-3-4-7-13-19-16-12-8-10-14-9-5-6-11-15(14)17(16)18/h5-6,9,11,16-17H,2-4,7-8,10,12-13,18H2,1H3
InChIKeyRTNNOMIALNYWNR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds6

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

6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 43127864) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID43127864
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCCCCOC1CCCc2ccccc2C1N
InChIInChI=1S/C17H27NO/c1-2-3-4-7-13-19-16-12-8-10-14-9-5-6-11-15(14)17(16)18/h5-6,9,11,16-17H,2-4,7-8,10,12-13,18H2,1H3
InChIKeyRTNNOMIALNYWNR-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
CID 146597119
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
CID 175792010
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
2-octoxycyclohexan-1-amine
CID 43127889

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 43127864) is 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCCCCCOC1CCCc2ccccc2C1N.
What is the InChIKey of 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is RTNNOMIALNYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-7-13-19-16-12-8-10-14-9-5-6-11-15(14)17(16)18/h5-6,9,11,16-17H,2-4,7-8,10,12-13,18H2,1H3.
What are the key properties of 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 43127864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).