6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide

C14H24N2OS — CID 43696633

IUPAC6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide
SMILESCc1cc(C(C)NC(=O)CCCCCN)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10-9-13(12(3)18-10)11(2)16-14(17)7-5-4-6-8-15/h9,11H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyPDRZUIXGWLNOAX-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.06
Rot. Bonds7

About 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide

6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide (PubChem CID 43696633) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide
PubChem CID43696633
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide
SMILESCc1cc(C(C)NC(=O)CCCCCN)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-10-9-13(12(3)18-10)11(2)16-14(17)7-5-4-6-8-15/h9,11H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyPDRZUIXGWLNOAX-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide (CID 43696633) is 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide is Cc1cc(C(C)NC(=O)CCCCCN)c(C)s1.
What is the InChIKey of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide?
The InChIKey is PDRZUIXGWLNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-9-13(12(3)18-10)11(2)16-14(17)7-5-4-6-8-15/h9,11H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide?
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide has a molecular weight of 268.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]hexanamide is sourced from PubChem (CID 43696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).