3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C16H26N2O — CID 62634150

IUPAC3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCN(C)CCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C16H26N2O/c1-5-18(4)9-8-17-13-10-12(3)15-11(2)6-7-14(19)16(13)15/h6-7,12-13,17,19H,5,8-10H2,1-4H3
InChIKeySQTQYLYUMGHWHV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 62634150) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID62634150
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCCN(C)CCNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C16H26N2O/c1-5-18(4)9-8-17-13-10-12(3)15-11(2)6-7-14(19)16(13)15/h6-7,12-13,17,19H,5,8-10H2,1-4H3
InChIKeySQTQYLYUMGHWHV-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 62634150) is 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is CCN(C)CCNC1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SQTQYLYUMGHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-18(4)9-8-17-13-10-12(3)15-11(2)6-7-14(19)16(13)15/h6-7,12-13,17,19H,5,8-10H2,1-4H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 62634150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).