3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C17H23NO — CID 104583386

IUPAC3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESC#CCCCCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C17H23NO/c1-4-5-6-7-10-18-14-11-13(3)16-12(2)8-9-15(19)17(14)16/h1,8-9,13-14,18-19H,5-7,10-11H2,2-3H3
InChIKeyFBOUACCWWLYKDU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.64
Rot. Bonds5

About 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 104583386) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID104583386
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESC#CCCCCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C17H23NO/c1-4-5-6-7-10-18-14-11-13(3)16-12(2)8-9-15(19)17(14)16/h1,8-9,13-14,18-19H,5-7,10-11H2,2-3H3
InChIKeyFBOUACCWWLYKDU-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,7-dimethyl-3-(pent-4-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 104582781
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
1,7-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 43203893
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 113429324
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 43135104
3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 62634150
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64568288
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide
CID 43310857
3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 54913530
1,7-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 104582862

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 104583386) is 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is C#CCCCCNC1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is FBOUACCWWLYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-5-6-7-10-18-14-11-13(3)16-12(2)8-9-15(19)17(14)16/h1,8-9,13-14,18-19H,5-7,10-11H2,2-3H3.
What are the key properties of 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 257.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 104583386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).