5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine

C12H21NS — CID 65300528

IUPAC5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine
SMILESCc1cc(CCC(C)CCN)c(C)s1
InChIInChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-8-10(2)14-11(12)3/h8-9H,4-7,13H2,1-3H3
InChIKeyPXMQCJFGCXJOQC-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.28
Rot. Bonds5

About 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine

5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine (PubChem CID 65300528) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine
PubChem CID65300528
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine
SMILESCc1cc(CCC(C)CCN)c(C)s1
InChIInChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-8-10(2)14-11(12)3/h8-9H,4-7,13H2,1-3H3
InChIKeyPXMQCJFGCXJOQC-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Thiophen-2-yl)cyclohexyl]methanamine
CID 16494915
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
8-[5-(4-Aminobutyl)thiophen-2-yl]octan-1-amine
CID 10469005
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
8-[5-(4-Aminobutyl)-3-ethylthiophen-2-yl]octan-1-amine
CID 16125736
8-[5-(4-Aminobutyl)-4-methylthiophen-2-yl]octan-1-amine
CID 16125857
8-[5-(4-Aminobutyl)-3-methylthiophen-2-yl]octan-1-amine
CID 16125858
8-[5-(3-Aminopropyl)thiophen-2-yl]octan-1-amine
CID 16125916
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035
2-(Thiophen-2-yl)propan-1-amine
CID 4322464
2,5-Di(4-aminobutyl)-thiophene
CID 10585375

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine (CID 65300528) is 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine is Cc1cc(CCC(C)CCN)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine?
The InChIKey is PXMQCJFGCXJOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-8-10(2)14-11(12)3/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine?
5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 65300528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).