5-chloro-N-(7-methyldodecyl)thiophen-3-amine

C17H30ClNS — CID 57169262

IUPAC5-chloro-N-(7-methyldodecyl)thiophen-3-amine
SMILESCCCCCC(C)CCCCCCNc1csc(Cl)c1
InChIInChI=1S/C17H30ClNS/c1-3-4-7-10-15(2)11-8-5-6-9-12-19-16-13-17(18)20-14-16/h13-15,19H,3-12H2,1-2H3
InChIKeyNJWLMJWBXZMLOP-UHFFFAOYSA-N
MW315.95 g/mol
LogP6.98
Rot. Bonds12

About 5-chloro-N-(7-methyldodecyl)thiophen-3-amine

5-chloro-N-(7-methyldodecyl)thiophen-3-amine (PubChem CID 57169262) has the molecular formula C17H30ClNS and a molecular weight of 315.95 g/mol. Its IUPAC name is 5-chloro-N-(7-methyldodecyl)thiophen-3-amine.

Molecular Properties

Compound Name5-chloro-N-(7-methyldodecyl)thiophen-3-amine
PubChem CID57169262
Molecular FormulaC17H30ClNS
Molecular Weight315.95 g/mol
Exact Mass315.18
IUPAC Name5-chloro-N-(7-methyldodecyl)thiophen-3-amine
SMILESCCCCCC(C)CCCCCCNc1csc(Cl)c1
InChIInChI=1S/C17H30ClNS/c1-3-4-7-10-15(2)11-8-5-6-9-12-19-16-13-17(18)20-14-16/h13-15,19H,3-12H2,1-2H3
InChIKeyNJWLMJWBXZMLOP-UHFFFAOYSA-N
XLogP6.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.95
LogP ≤ 56.98
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-methyldodecyl)thiophen-3-amine?
The IUPAC name of 5-chloro-N-(7-methyldodecyl)thiophen-3-amine (CID 57169262) is 5-chloro-N-(7-methyldodecyl)thiophen-3-amine.
What is the SMILES notation for 5-chloro-N-(7-methyldodecyl)thiophen-3-amine?
The canonical SMILES for 5-chloro-N-(7-methyldodecyl)thiophen-3-amine is CCCCCC(C)CCCCCCNc1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-(7-methyldodecyl)thiophen-3-amine?
The InChIKey is NJWLMJWBXZMLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNS/c1-3-4-7-10-15(2)11-8-5-6-9-12-19-16-13-17(18)20-14-16/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 5-chloro-N-(7-methyldodecyl)thiophen-3-amine?
5-chloro-N-(7-methyldodecyl)thiophen-3-amine has a molecular weight of 315.95 g/mol, XLogP of 6.98, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-methyldodecyl)thiophen-3-amine is sourced from PubChem (CID 57169262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).