[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol

C16H23NO — CID 84589218

IUPAC[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-16(11-18)8-4-7-15(16)17-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15,17-18H,4,7-11H2,1H3
InChIKeyVTUGGFUQZCLTCX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.29
Rot. Bonds3

About [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol

[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol (PubChem CID 84589218) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol
PubChem CID84589218
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-16(11-18)8-4-7-15(16)17-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15,17-18H,4,7-11H2,1H3
InChIKeyVTUGGFUQZCLTCX-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol (CID 84589218) is [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol is CC1(CO)CCCC1NC1Cc2ccccc2C1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol?
The InChIKey is VTUGGFUQZCLTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(11-18)8-4-7-15(16)17-14-9-12-5-2-3-6-13(12)10-14/h2-3,5-6,14-15,17-18H,4,7-11H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol?
[2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-ylamino)-1-methylcyclopentyl]methanol is sourced from PubChem (CID 84589218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).