3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C19H29NO — CID 64922351

IUPAC3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCC1CCC(NC2CC(C)c3c(C)ccc(O)c32)C1C
InChIInChI=1S/C19H29NO/c1-5-14-7-8-15(13(14)4)20-16-10-12(3)18-11(2)6-9-17(21)19(16)18/h6,9,12-16,20-21H,5,7-8,10H2,1-4H3
InChIKeyQHCOGBYEOODGSI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.66
Rot. Bonds3

About 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 64922351) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID64922351
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCC1CCC(NC2CC(C)c3c(C)ccc(O)c32)C1C
InChIInChI=1S/C19H29NO/c1-5-14-7-8-15(13(14)4)20-16-10-12(3)18-11(2)6-9-17(21)19(16)18/h6,9,12-16,20-21H,5,7-8,10H2,1-4H3
InChIKeyQHCOGBYEOODGSI-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 64922351) is 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is CCC1CCC(NC2CC(C)c3c(C)ccc(O)c32)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is QHCOGBYEOODGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-14-7-8-15(13(14)4)20-16-10-12(3)18-11(2)6-9-17(21)19(16)18/h6,9,12-16,20-21H,5,7-8,10H2,1-4H3.
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 287.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methylcyclopentyl)amino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 64922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).