3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C17H27NO — CID 64568288

IUPAC3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC(C)C(C)C
InChIInChI=1S/C17H27NO/c1-10(2)13(5)9-18-14-8-12(4)16-11(3)6-7-15(19)17(14)16/h6-7,10,12-14,18-19H,8-9H2,1-5H3
InChIKeyHEYCKIDLSILFHN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.13
Rot. Bonds4

About 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 64568288) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID64568288
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC(C)C(C)C
InChIInChI=1S/C17H27NO/c1-10(2)13(5)9-18-14-8-12(4)16-11(3)6-7-15(19)17(14)16/h6-7,10,12-14,18-19H,8-9H2,1-5H3
InChIKeyHEYCKIDLSILFHN-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 64568288) is 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCC(C)C(C)C.
What is the InChIKey of 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is HEYCKIDLSILFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-10(2)13(5)9-18-14-8-12(4)16-11(3)6-7-15(19)17(14)16/h6-7,10,12-14,18-19H,8-9H2,1-5H3.
What are the key properties of 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 261.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 64568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).