1-naphthalen-1-yl-2-propylsulfanylethanamine

C15H19NS — CID 64614496

IUPAC1-naphthalen-1-yl-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-2-10-17-11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3
InChIKeyYSMWBJZIAYJFCB-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.98
Rot. Bonds5

About 1-naphthalen-1-yl-2-propylsulfanylethanamine

1-naphthalen-1-yl-2-propylsulfanylethanamine (PubChem CID 64614496) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-propylsulfanylethanamine
PubChem CID64614496
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-naphthalen-1-yl-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-2-10-17-11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3
InChIKeyYSMWBJZIAYJFCB-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.98
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

1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
CID 65128492
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-naphthalen-1-yl-2-propylsulfinylethanamine
CID 64653401
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-propylsulfanylethanamine?
The IUPAC name of 1-naphthalen-1-yl-2-propylsulfanylethanamine (CID 64614496) is 1-naphthalen-1-yl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-2-propylsulfanylethanamine?
The canonical SMILES for 1-naphthalen-1-yl-2-propylsulfanylethanamine is CCCSCC(N)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-propylsulfanylethanamine?
The InChIKey is YSMWBJZIAYJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-10-17-11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3.
What are the key properties of 1-naphthalen-1-yl-2-propylsulfanylethanamine?
1-naphthalen-1-yl-2-propylsulfanylethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-propylsulfanylethanamine is sourced from PubChem (CID 64614496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).