N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine

C18H25NS — CID 107764148

IUPACN-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine
SMILESCNC(CSCCC(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NS/c1-14(2)10-11-20-13-18(19-3)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18-19H,10-11,13H2,1-3H3
InChIKeyORHMFQAZOQZGMX-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.88
Rot. Bonds7

About N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine

N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine (PubChem CID 107764148) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine
PubChem CID107764148
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine
SMILESCNC(CSCCC(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NS/c1-14(2)10-11-20-13-18(19-3)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18-19H,10-11,13H2,1-3H3
InChIKeyORHMFQAZOQZGMX-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.88
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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Related Compounds

3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
3-(methylamino)-3-naphthalen-2-ylpropanenitrile
CID 116955229
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
CID 64626467
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine?
The IUPAC name of N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine (CID 107764148) is N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine is CNC(CSCCC(C)C)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine?
The InChIKey is ORHMFQAZOQZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-14(2)10-11-20-13-18(19-3)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18-19H,10-11,13H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine?
N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 107764148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).