N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine

C19H27NS — CID 107762967

IUPACN-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NCC)c1cccc2ccccc12
InChIInChI=1S/C19H27NS/c1-3-5-8-14-21-15-19(20-4-2)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19-20H,3-5,8,14-15H2,1-2H3
InChIKeyMCAQMDMEDFIHHQ-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.41
Rot. Bonds9

About N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine

N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine (PubChem CID 107762967) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
PubChem CID107762967
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NCC)c1cccc2ccccc12
InChIInChI=1S/C19H27NS/c1-3-5-8-14-21-15-19(20-4-2)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19-20H,3-5,8,14-15H2,1-2H3
InChIKeyMCAQMDMEDFIHHQ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.41
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

2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64610280
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
CID 107762989
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-(3,4-dimethylphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107762984
N-(1-isoquinolin-5-yl-2-propylsulfanylethyl)propan-1-amine
CID 65129160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine?
The IUPAC name of N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine (CID 107762967) is N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine is CCCCCSCC(NCC)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine?
The InChIKey is MCAQMDMEDFIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-5-8-14-21-15-19(20-4-2)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19-20H,3-5,8,14-15H2,1-2H3.
What are the key properties of N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine?
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine has a molecular weight of 301.50 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine is sourced from PubChem (CID 107762967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).