N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine

C12H21NS — CID 114874222

IUPACN,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-5-9(2)8-11(13-4)12-7-6-10(3)14-12/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyQITCILDVJFPXLK-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.75
Rot. Bonds5

About N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine

N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine (PubChem CID 114874222) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
PubChem CID114874222
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
SMILESCCC(C)CC(NC)c1ccc(C)s1
InChIInChI=1S/C12H21NS/c1-5-9(2)8-11(13-4)12-7-6-10(3)14-12/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyQITCILDVJFPXLK-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-1-(5-methylthiophen-2-yl)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

1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
CID 115845349
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
4-ethoxy-N-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 105162024
N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43483023
N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389
N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
CID 105138453
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The IUPAC name of N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine (CID 114874222) is N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine is CCC(C)CC(NC)c1ccc(C)s1.
What is the InChIKey of N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
The InChIKey is QITCILDVJFPXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-9(2)8-11(13-4)12-7-6-10(3)14-12/h6-7,9,11,13H,5,8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine?
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 114874222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).