2-dodecyl-3H-thiophen-2-amine

C16H31NS — CID 165147990

IUPAC2-dodecyl-3H-thiophen-2-amine
SMILESCCCCCCCCCCCCC1(N)CC=CS1
InChIInChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-10-11-13-16(17)14-12-15-18-16/h12,15H,2-11,13-14,17H2,1H3
InChIKeyLTCIKWXEIOHEDF-UHFFFAOYSA-N
MW269.50 g/mol
LogP5.60
Rot. Bonds11

About 2-dodecyl-3H-thiophen-2-amine

2-dodecyl-3H-thiophen-2-amine (PubChem CID 165147990) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 2-dodecyl-3H-thiophen-2-amine.

Molecular Properties

Compound Name2-dodecyl-3H-thiophen-2-amine
PubChem CID165147990
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name2-dodecyl-3H-thiophen-2-amine
SMILESCCCCCCCCCCCCC1(N)CC=CS1
InChIInChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-10-11-13-16(17)14-12-15-18-16/h12,15H,2-11,13-14,17H2,1H3
InChIKeyLTCIKWXEIOHEDF-UHFFFAOYSA-N
XLogP5.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.50
LogP ≤ 55.60
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 2-dodecyl-3H-thiophen-2-amine?
The IUPAC name of 2-dodecyl-3H-thiophen-2-amine (CID 165147990) is 2-dodecyl-3H-thiophen-2-amine.
What is the SMILES notation for 2-dodecyl-3H-thiophen-2-amine?
The canonical SMILES for 2-dodecyl-3H-thiophen-2-amine is CCCCCCCCCCCCC1(N)CC=CS1.
What is the InChIKey of 2-dodecyl-3H-thiophen-2-amine?
The InChIKey is LTCIKWXEIOHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-10-11-13-16(17)14-12-15-18-16/h12,15H,2-11,13-14,17H2,1H3.
What are the key properties of 2-dodecyl-3H-thiophen-2-amine?
2-dodecyl-3H-thiophen-2-amine has a molecular weight of 269.50 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-3H-thiophen-2-amine is sourced from PubChem (CID 165147990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).