5-(2-methylthiophen-3-yl)pentan-1-amine

C10H17NS — CID 129015928

IUPAC5-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCc1sccc1CCCCCN
InChIInChI=1S/C10H17NS/c1-9-10(6-8-12-9)5-3-2-4-7-11/h6,8H,2-5,7,11H2,1H3
InChIKeyNOXCWTWAWXRPKV-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.73
Rot. Bonds5

About 5-(2-methylthiophen-3-yl)pentan-1-amine

5-(2-methylthiophen-3-yl)pentan-1-amine (PubChem CID 129015928) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-(2-methylthiophen-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-methylthiophen-3-yl)pentan-1-amine
PubChem CID129015928
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCc1sccc1CCCCCN
InChIInChI=1S/C10H17NS/c1-9-10(6-8-12-9)5-3-2-4-7-11/h6,8H,2-5,7,11H2,1H3
InChIKeyNOXCWTWAWXRPKV-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiophen-3-yl)pentan-1-amine?
The IUPAC name of 5-(2-methylthiophen-3-yl)pentan-1-amine (CID 129015928) is 5-(2-methylthiophen-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-methylthiophen-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2-methylthiophen-3-yl)pentan-1-amine is Cc1sccc1CCCCCN.
What is the InChIKey of 5-(2-methylthiophen-3-yl)pentan-1-amine?
The InChIKey is NOXCWTWAWXRPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-9-10(6-8-12-9)5-3-2-4-7-11/h6,8H,2-5,7,11H2,1H3.
What are the key properties of 5-(2-methylthiophen-3-yl)pentan-1-amine?
5-(2-methylthiophen-3-yl)pentan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiophen-3-yl)pentan-1-amine is sourced from PubChem (CID 129015928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).