2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine

C12H21NS — CID 115621660

IUPAC2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-5-8-12(3,4)13-9-11-7-6-10(2)14-11/h6-7,13H,5,8-9H2,1-4H3
InChIKeyMXZUVSLWSUCSHB-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine

2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine (PubChem CID 115621660) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
PubChem CID115621660
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-5-8-12(3,4)13-9-11-7-6-10(2)14-11/h6-7,13H,5,8-9H2,1-4H3
InChIKeyMXZUVSLWSUCSHB-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
2-(hydroxymethyl)-2-[(5-methylthiophen-2-yl)methylamino]propane-1,3-diol
CID 914020
2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 103700179
3-methyl-3-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 115866636
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
CID 115698956
2,2-dimethyl-4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65308375
N-[(5-methoxythiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 115702396
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylthiophen-2-yl)methyl]-2-propylpentanamide
CID 76932961
6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80817701
3,3-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]hexane-1,6-diamine
CID 65296351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine (CID 115621660) is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine is CCCC(C)(C)NCc1ccc(C)s1.
What is the InChIKey of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine?
The InChIKey is MXZUVSLWSUCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-8-12(3,4)13-9-11-7-6-10(2)14-11/h6-7,13H,5,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine?
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115621660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).