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

C16H25NS — CID 63981858

IUPAC4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCSCCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NS/c1-16(2)10-9-15(17-11-6-12-18-3)13-7-4-5-8-14(13)16/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyGRTBIHNMZPJQOL-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.14
Rot. Bonds5

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

4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 63981858) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID63981858
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
SMILESCSCCCNC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H25NS/c1-16(2)10-9-15(17-11-6-12-18-3)13-7-4-5-8-14(13)16/h4-5,7-8,15,17H,6,9-12H2,1-3H3
InChIKeyGRTBIHNMZPJQOL-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine (CID 63981858) is 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine is CSCCCNC1CCC(C)(C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is GRTBIHNMZPJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-16(2)10-9-15(17-11-6-12-18-3)13-7-4-5-8-14(13)16/h4-5,7-8,15,17H,6,9-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 63981858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).