3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C16H26N2O — CID 54913530

IUPAC3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC(C)N(C)C
InChIInChI=1S/C16H26N2O/c1-10-6-7-14(19)16-13(8-11(2)15(10)16)17-9-12(3)18(4)5/h6-7,11-13,17,19H,8-9H2,1-5H3
InChIKeyGJTSYEHOEYDXCN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds4

About 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 54913530) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID54913530
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCC(C)N(C)C
InChIInChI=1S/C16H26N2O/c1-10-6-7-14(19)16-13(8-11(2)15(10)16)17-9-12(3)18(4)5/h6-7,11-13,17,19H,8-9H2,1-5H3
InChIKeyGJTSYEHOEYDXCN-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 54913530) is 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCC(C)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is GJTSYEHOEYDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-6-7-14(19)16-13(8-11(2)15(10)16)17-9-12(3)18(4)5/h6-7,11-13,17,19H,8-9H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 262.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 54913530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).