1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine

C16H21NS — CID 65128492

IUPAC1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H21NS/c1-2-10-18-12-15(17)11-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15H,2,10-12,17H2,1H3
InChIKeyZDICXALMEQVPIH-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.85
Rot. Bonds6

About 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine

1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine (PubChem CID 65128492) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
PubChem CID65128492
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C16H21NS/c1-2-10-18-12-15(17)11-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15H,2,10-12,17H2,1H3
InChIKeyZDICXALMEQVPIH-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.85
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

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
CID 65129254
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 62678617
methanamine;1-propylnaphthalene
CID 174438724
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine (CID 65128492) is 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine is CCCSCC(N)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine?
The InChIKey is ZDICXALMEQVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-10-18-12-15(17)11-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15H,2,10-12,17H2,1H3.
What are the key properties of 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine?
1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).