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

C16H23NO — CID 64908870

IUPAC1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC1CCC(NC2CCc3c(O)cccc32)C1C
InChIInChI=1S/C16H23NO/c1-10-6-8-14(11(10)2)17-15-9-7-13-12(15)4-3-5-16(13)18/h3-5,10-11,14-15,17-18H,6-9H2,1-2H3
InChIKeyWNBUYNLCBVWHPP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.40
Rot. Bonds2

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

1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 64908870) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID64908870
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC1CCC(NC2CCc3c(O)cccc32)C1C
InChIInChI=1S/C16H23NO/c1-10-6-8-14(11(10)2)17-15-9-7-13-12(15)4-3-5-16(13)18/h3-5,10-11,14-15,17-18H,6-9H2,1-2H3
InChIKeyWNBUYNLCBVWHPP-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 64908870) is 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol is CC1CCC(NC2CCc3c(O)cccc32)C1C.
What is the InChIKey of 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WNBUYNLCBVWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-6-8-14(11(10)2)17-15-9-7-13-12(15)4-3-5-16(13)18/h3-5,10-11,14-15,17-18H,6-9H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 245.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylcyclopentyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 64908870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).