5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C15H23NO — CID 79128863

IUPAC5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCC(CN)C1(O)CCCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-2-13(11-16)15(17)10-6-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,17H,2,5-6,8,10-11,16H2,1H3
InChIKeyYKMVIAHMORVFLO-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.59
Rot. Bonds3

About 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 79128863) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID79128863
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCCC(CN)C1(O)CCCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-2-13(11-16)15(17)10-6-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,17H,2,5-6,8,10-11,16H2,1H3
InChIKeyYKMVIAHMORVFLO-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol with MolForge

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Related Compounds

1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol
CID 178102766
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 70513722
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 102080429
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
2-[5-(1-aminoethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]acetic acid
CID 66096864
ethyl 2-(1-hydroxy-2,3-dihydroinden-1-yl)pentanoate
CID 83043699
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 79128863) is 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CCC(CN)C1(O)CCCCc2ccccc21.
What is the InChIKey of 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is YKMVIAHMORVFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-13(11-16)15(17)10-6-5-8-12-7-3-4-9-14(12)15/h3-4,7,9,13,17H,2,5-6,8,10-11,16H2,1H3.
What are the key properties of 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 233.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 79128863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).