1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C16H23NO — CID 63822385

IUPAC1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC1(CNC2CCc3c(O)cccc32)CCCC1
InChIInChI=1S/C16H23NO/c1-16(9-2-3-10-16)11-17-14-8-7-13-12(14)5-4-6-15(13)18/h4-6,14,17-18H,2-3,7-11H2,1H3
InChIKeyRHPCBKANKMLXMZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.55
Rot. Bonds3

About 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 63822385) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID63822385
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC1(CNC2CCc3c(O)cccc32)CCCC1
InChIInChI=1S/C16H23NO/c1-16(9-2-3-10-16)11-17-14-8-7-13-12(14)5-4-6-15(13)18/h4-6,14,17-18H,2-3,7-11H2,1H3
InChIKeyRHPCBKANKMLXMZ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 63822385) is 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol is CC1(CNC2CCc3c(O)cccc32)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is RHPCBKANKMLXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(9-2-3-10-16)11-17-14-8-7-13-12(14)5-4-6-15(13)18/h4-6,14,17-18H,2-3,7-11H2,1H3.
What are the key properties of 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 245.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 63822385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).