3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine

C26H32N2 — CID 67039898

IUPAC3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine
SMILESCC1=Cc2ccc(N(C)C)cc2C1CCC1C(C)=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C26H32N2/c1-17-13-19-7-9-21(27(3)4)15-25(19)23(17)11-12-24-18(2)14-20-8-10-22(28(5)6)16-26(20)24/h7-10,13-16,23-24H,11-12H2,1-6H3
InChIKeyGJCFNSTWFXZYAT-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.30
Rot. Bonds5

About 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine

3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine (PubChem CID 67039898) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine.

Molecular Properties

Compound Name3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine
PubChem CID67039898
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine
SMILESCC1=Cc2ccc(N(C)C)cc2C1CCC1C(C)=Cc2ccc(N(C)C)cc21
InChIInChI=1S/C26H32N2/c1-17-13-19-7-9-21(27(3)4)15-25(19)23(17)11-12-24-18(2)14-20-8-10-22(28(5)6)16-26(20)24/h7-10,13-16,23-24H,11-12H2,1-6H3
InChIKeyGJCFNSTWFXZYAT-UHFFFAOYSA-N
XLogP6.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine 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-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine?
The IUPAC name of 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine (CID 67039898) is 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine.
What is the SMILES notation for 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine?
The canonical SMILES for 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine is CC1=Cc2ccc(N(C)C)cc2C1CCC1C(C)=Cc2ccc(N(C)C)cc21.
What is the InChIKey of 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine?
The InChIKey is GJCFNSTWFXZYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-17-13-19-7-9-21(27(3)4)15-25(19)23(17)11-12-24-18(2)14-20-8-10-22(28(5)6)16-26(20)24/h7-10,13-16,23-24H,11-12H2,1-6H3.
What are the key properties of 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine?
3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine has a molecular weight of 372.56 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine is sourced from PubChem (CID 67039898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).