N-(5-methylsulfanylpentyl)naphthalen-2-amine

C16H21NS — CID 114127751

IUPACN-(5-methylsulfanylpentyl)naphthalen-2-amine
SMILESCSCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-18-12-6-2-5-11-17-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,17H,2,5-6,11-12H2,1H3
InChIKeyUGVKLYJWJHILEP-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.78
Rot. Bonds7

About N-(5-methylsulfanylpentyl)naphthalen-2-amine

N-(5-methylsulfanylpentyl)naphthalen-2-amine (PubChem CID 114127751) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)naphthalen-2-amine
PubChem CID114127751
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-(5-methylsulfanylpentyl)naphthalen-2-amine
SMILESCSCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-18-12-6-2-5-11-17-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,17H,2,5-6,11-12H2,1H3
InChIKeyUGVKLYJWJHILEP-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.78
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

N-hexadecylnaphthalen-2-amine
CID 12796089
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
N-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379
N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine
CID 103087166
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
N-(3-methylsulfanylpropyl)quinolin-3-amine
CID 43691135

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)naphthalen-2-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)naphthalen-2-amine (CID 114127751) is N-(5-methylsulfanylpentyl)naphthalen-2-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)naphthalen-2-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)naphthalen-2-amine is CSCCCCCNc1ccc2ccccc2c1.
What is the InChIKey of N-(5-methylsulfanylpentyl)naphthalen-2-amine?
The InChIKey is UGVKLYJWJHILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-18-12-6-2-5-11-17-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13,17H,2,5-6,11-12H2,1H3.
What are the key properties of N-(5-methylsulfanylpentyl)naphthalen-2-amine?
N-(5-methylsulfanylpentyl)naphthalen-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)naphthalen-2-amine is sourced from PubChem (CID 114127751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).