1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine

C17H23N — CID 114190289

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C17H23N/c1-17(2,3)10-6-9-16(18)15-11-13-7-4-5-8-14(13)12-15/h4-5,7-8,15-16H,9,11-12,18H2,1-3H3
InChIKeyGILULWGMVUHQRK-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.17
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine (PubChem CID 114190289) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine
PubChem CID114190289
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine
SMILESCC(C)(C)C#CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C17H23N/c1-17(2,3)10-6-9-16(18)15-11-13-7-4-5-8-14(13)12-15/h4-5,7-8,15-16H,9,11-12,18H2,1-3H3
InChIKeyGILULWGMVUHQRK-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-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 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine (CID 114190289) is 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine is CC(C)(C)C#CCC(N)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine?
The InChIKey is GILULWGMVUHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-17(2,3)10-6-9-16(18)15-11-13-7-4-5-8-14(13)12-15/h4-5,7-8,15-16H,9,11-12,18H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-5,5-dimethylhex-3-yn-1-amine is sourced from PubChem (CID 114190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).