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

C14H24ClNS — CID 57289045

IUPAC5-chloro-N-(7-methylnonyl)thiophen-3-amine
SMILESCCC(C)CCCCCCNc1csc(Cl)c1
InChIInChI=1S/C14H24ClNS/c1-3-12(2)8-6-4-5-7-9-16-13-10-14(15)17-11-13/h10-12,16H,3-9H2,1-2H3
InChIKeyOCRJGNPEUJJKDI-UHFFFAOYSA-N
MW273.87 g/mol
LogP5.81
Rot. Bonds9

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

5-chloro-N-(7-methylnonyl)thiophen-3-amine (PubChem CID 57289045) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 5-chloro-N-(7-methylnonyl)thiophen-3-amine.

Molecular Properties

Compound Name5-chloro-N-(7-methylnonyl)thiophen-3-amine
PubChem CID57289045
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name5-chloro-N-(7-methylnonyl)thiophen-3-amine
SMILESCCC(C)CCCCCCNc1csc(Cl)c1
InChIInChI=1S/C14H24ClNS/c1-3-12(2)8-6-4-5-7-9-16-13-10-14(15)17-11-13/h10-12,16H,3-9H2,1-2H3
InChIKeyOCRJGNPEUJJKDI-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.87
LogP ≤ 55.81
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

5-chloro-N-octylthiophen-3-amine
CID 57145717
5-chloro-N-(7-methyldodecyl)thiophen-3-amine
CID 57169262
2-chloro-N-heptan-2-ylthiophen-3-amine
CID 57297433
N-(2-ethylhexyl)thiophen-3-amine
CID 59584057
N-(2-Octyldodecyl)thiophen-3-amine
CID 101570396
N-(2-octyldecyl)thiophen-3-amine
CID 142721017
N-(2-hexyldecyl)thiophen-3-amine
CID 142721018
N-(2-methylpentyl)thiophen-3-amine
CID 66350340
N-(cycloheptylmethyl)thiophen-3-amine
CID 66350805
N-(4-propylcyclohexyl)thiophen-3-amine
CID 66350815
N-(3-ethylcyclohexyl)thiophen-3-amine
CID 66351031
N-(1-cyclohexylethyl)thiophen-3-amine
CID 66351204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-methylnonyl)thiophen-3-amine?
The IUPAC name of 5-chloro-N-(7-methylnonyl)thiophen-3-amine (CID 57289045) is 5-chloro-N-(7-methylnonyl)thiophen-3-amine.
What is the SMILES notation for 5-chloro-N-(7-methylnonyl)thiophen-3-amine?
The canonical SMILES for 5-chloro-N-(7-methylnonyl)thiophen-3-amine is CCC(C)CCCCCCNc1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-(7-methylnonyl)thiophen-3-amine?
The InChIKey is OCRJGNPEUJJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-3-12(2)8-6-4-5-7-9-16-13-10-14(15)17-11-13/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(7-methylnonyl)thiophen-3-amine?
5-chloro-N-(7-methylnonyl)thiophen-3-amine has a molecular weight of 273.87 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-methylnonyl)thiophen-3-amine is sourced from PubChem (CID 57289045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).