5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine

C11H18ClNS — CID 102765223

IUPAC5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(CCC(C)CCN)sc1Cl
InChIInChI=1S/C11H18ClNS/c1-8(5-6-13)3-4-10-7-9(2)11(12)14-10/h7-8H,3-6,13H2,1-2H3
InChIKeyVOAIUGQLHGITLD-UHFFFAOYSA-N
MW231.79 g/mol
LogP3.63
Rot. Bonds5

About 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine

5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 102765223) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine
PubChem CID102765223
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC Name5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(CCC(C)CCN)sc1Cl
InChIInChI=1S/C11H18ClNS/c1-8(5-6-13)3-4-10-7-9(2)11(12)14-10/h7-8H,3-6,13H2,1-2H3
InChIKeyVOAIUGQLHGITLD-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine (CID 102765223) is 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine is Cc1cc(CCC(C)CCN)sc1Cl.
What is the InChIKey of 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is VOAIUGQLHGITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS/c1-8(5-6-13)3-4-10-7-9(2)11(12)14-10/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine?
5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 231.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-methylthiophen-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 102765223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).