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

C18H27NO2 — CID 83035861

IUPAC1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCC1(CC)CC(NC2CCc3c(O)cccc32)CCO1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2)12-13(10-11-21-18)19-16-9-8-15-14(16)6-5-7-17(15)20/h5-7,13,16,19-20H,3-4,8-12H2,1-2H3
InChIKeyXXAFFSKLRBBXRU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.71
Rot. Bonds4

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

1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 83035861) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID83035861
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCC1(CC)CC(NC2CCc3c(O)cccc32)CCO1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2)12-13(10-11-21-18)19-16-9-8-15-14(16)6-5-7-17(15)20/h5-7,13,16,19-20H,3-4,8-12H2,1-2H3
InChIKeyXXAFFSKLRBBXRU-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 83035861) is 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol is CCC1(CC)CC(NC2CCc3c(O)cccc32)CCO1.
What is the InChIKey of 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is XXAFFSKLRBBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-18(4-2)12-13(10-11-21-18)19-16-9-8-15-14(16)6-5-7-17(15)20/h5-7,13,16,19-20H,3-4,8-12H2,1-2H3.
What are the key properties of 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 289.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 83035861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).