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

C18H27NO — CID 82982761

IUPAC1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CN(C1CCCC1)C1CCc2c(O)cccc21
InChIInChI=1S/C18H27NO/c1-13(2)12-19(14-6-3-4-7-14)17-11-10-16-15(17)8-5-9-18(16)20/h5,8-9,13-14,17,20H,3-4,6-7,10-12H2,1-2H3
InChIKeyKGFGCRQOEZEKKJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.28
Rot. Bonds4

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

1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82982761) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82982761
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CN(C1CCCC1)C1CCc2c(O)cccc21
InChIInChI=1S/C18H27NO/c1-13(2)12-19(14-6-3-4-7-14)17-11-10-16-15(17)8-5-9-18(16)20/h5,8-9,13-14,17,20H,3-4,6-7,10-12H2,1-2H3
InChIKeyKGFGCRQOEZEKKJ-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol (CID 82982761) is 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol is CC(C)CN(C1CCCC1)C1CCc2c(O)cccc21.
What is the InChIKey of 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is KGFGCRQOEZEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)12-19(14-6-3-4-7-14)17-11-10-16-15(17)8-5-9-18(16)20/h5,8-9,13-14,17,20H,3-4,6-7,10-12H2,1-2H3.
What are the key properties of 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 273.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(2-methylpropyl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).