1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol

C17H25NO — CID 82977970

IUPAC1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C1CCCCCC1)C1CCc2c(O)cccc21
InChIInChI=1S/C17H25NO/c1-18(13-7-4-2-3-5-8-13)16-12-11-15-14(16)9-6-10-17(15)19/h6,9-10,13,16,19H,2-5,7-8,11-12H2,1H3
InChIKeyQGVAGHGGKLWFIK-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.03
Rot. Bonds2

About 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol

1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82977970) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82977970
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN(C1CCCCCC1)C1CCc2c(O)cccc21
InChIInChI=1S/C17H25NO/c1-18(13-7-4-2-3-5-8-13)16-12-11-15-14(16)9-6-10-17(15)19/h6,9-10,13,16,19H,2-5,7-8,11-12H2,1H3
InChIKeyQGVAGHGGKLWFIK-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 82977970) is 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol is CN(C1CCCCCC1)C1CCc2c(O)cccc21.
What is the InChIKey of 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is QGVAGHGGKLWFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(13-7-4-2-3-5-8-13)16-12-11-15-14(16)9-6-10-17(15)19/h6,9-10,13,16,19H,2-5,7-8,11-12H2,1H3.
What are the key properties of 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 259.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cycloheptyl(methyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82977970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).