6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol

C17H27NO — CID 103922340

IUPAC6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
SMILESOCCCCCCNC1CCCCc2ccccc21
InChIInChI=1S/C17H27NO/c19-14-8-2-1-7-13-18-17-12-6-4-10-15-9-3-5-11-16(15)17/h3,5,9,11,17-19H,1-2,4,6-8,10,12-14H2
InChIKeyGBGMFRYASOMBHY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.60
Rot. Bonds7

About 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol

6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol (PubChem CID 103922340) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
PubChem CID103922340
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
SMILESOCCCCCCNC1CCCCc2ccccc21
InChIInChI=1S/C17H27NO/c19-14-8-2-1-7-13-18-17-12-6-4-10-15-9-3-5-11-16(15)17/h3,5,9,11,17-19H,1-2,4,6-8,10,12-14H2
InChIKeyGBGMFRYASOMBHY-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol with MolForge

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Related Compounds

N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
CID 113262793
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43207352

Frequently Asked Questions

What is the IUPAC name of 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol?
The IUPAC name of 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol (CID 103922340) is 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol?
The canonical SMILES for 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol is OCCCCCCNC1CCCCc2ccccc21.
What is the InChIKey of 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol?
The InChIKey is GBGMFRYASOMBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-14-8-2-1-7-13-18-17-12-6-4-10-15-9-3-5-11-16(15)17/h3,5,9,11,17-19H,1-2,4,6-8,10,12-14H2.
What are the key properties of 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol?
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol is sourced from PubChem (CID 103922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).