1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol

C17H27NO — CID 178102766

IUPAC1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol
SMILESCCC(CCN(C)CC)C1(O)CCc2ccccc21
InChIInChI=1S/C17H27NO/c1-4-15(11-13-18(3)5-2)17(19)12-10-14-8-6-7-9-16(14)17/h6-9,15,19H,4-5,10-13H2,1-3H3
InChIKeyQKELVOZKGYEHEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.19
Rot. Bonds6

About 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol

1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol (PubChem CID 178102766) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol
PubChem CID178102766
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol
SMILESCCC(CCN(C)CC)C1(O)CCc2ccccc21
InChIInChI=1S/C17H27NO/c1-4-15(11-13-18(3)5-2)17(19)12-10-14-8-6-7-9-16(14)17/h6-9,15,19H,4-5,10-13H2,1-3H3
InChIKeyQKELVOZKGYEHEV-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol (CID 178102766) is 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol is CCC(CCN(C)CC)C1(O)CCc2ccccc21.
What is the InChIKey of 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol?
The InChIKey is QKELVOZKGYEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-15(11-13-18(3)5-2)17(19)12-10-14-8-6-7-9-16(14)17/h6-9,15,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol?
1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[ethyl(methyl)amino]pentan-3-yl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 178102766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).