N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NS — CID 107764182

IUPACN,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1SCCC(C)C
InChIInChI=1S/C17H27NS/c1-12(2)9-10-19-16-11-13(3)14-7-5-6-8-15(14)17(16)18-4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyZBGADKWUDGMAEU-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.60
Rot. Bonds5

About N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107764182) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107764182
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1SCCC(C)C
InChIInChI=1S/C17H27NS/c1-12(2)9-10-19-16-11-13(3)14-7-5-6-8-15(14)17(16)18-4/h5-8,12-13,16-18H,9-11H2,1-4H3
InChIKeyZBGADKWUDGMAEU-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tametraline Hydrochloride
CID 104180
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
CID 3034724
Tametraline
CID 163308
(1R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 44298872
(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104182
(1RS,4RS)-N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10609935
hydron;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;chloride
CID 68530877
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613682
2-(4-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64620539
N-ethyl-2-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64620718
2-(2-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621053

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107764182) is N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2C(C)CC1SCCC(C)C.
What is the InChIKey of N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZBGADKWUDGMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-12(2)9-10-19-16-11-13(3)14-7-5-6-8-15(14)17(16)18-4/h5-8,12-13,16-18H,9-11H2,1-4H3.
What are the key properties of N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107764182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).