4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine

C19H25NS — CID 63453924

IUPAC4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCCC(NC1CCC(C)(C)c2ccccc21)c1cccs1
InChIInChI=1S/C19H25NS/c1-4-16(18-10-7-13-21-18)20-17-11-12-19(2,3)15-9-6-5-8-14(15)17/h5-10,13,16-17,20H,4,11-12H2,1-3H3
InChIKeyACSPELMAFRUTQJ-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.60
Rot. Bonds4

About 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 63453924) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID63453924
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCCC(NC1CCC(C)(C)c2ccccc21)c1cccs1
InChIInChI=1S/C19H25NS/c1-4-16(18-10-7-13-21-18)20-17-11-12-19(2,3)15-9-6-5-8-14(15)17/h5-10,13,16-17,20H,4,11-12H2,1-3H3
InChIKeyACSPELMAFRUTQJ-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-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 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine (CID 63453924) is 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine is CCC(NC1CCC(C)(C)c2ccccc21)c1cccs1.
What is the InChIKey of 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is ACSPELMAFRUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-16(18-10-7-13-21-18)20-17-11-12-19(2,3)15-9-6-5-8-14(15)17/h5-10,13,16-17,20H,4,11-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 63453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).