2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine

C12H21NS — CID 62054518

IUPAC2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-4-5-10(2)8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyBAYRLENNKPXFLC-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.58
Rot. Bonds6

About 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine

2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine (PubChem CID 62054518) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
PubChem CID62054518
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-4-5-10(2)8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyBAYRLENNKPXFLC-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(5-methylthiophen-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 65233196
4-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 111448862
2,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butan-1-amine
CID 64571063
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
2-N,2-N-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 115595821
4-methyl-1-[(5-methylthiophen-2-yl)methylamino]pentan-2-ol
CID 103631692
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 115907389
3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine (CID 62054518) is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine is CCCC(C)CNCc1ccc(C)s1.
What is the InChIKey of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine?
The InChIKey is BAYRLENNKPXFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-5-10(2)8-13-9-12-7-6-11(3)14-12/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine?
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.58, 6 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-1-amine is sourced from PubChem (CID 62054518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).