N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine

C12H21NS — CID 102837787

IUPACN,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
SMILESCNC(CCc1ccsc1C)C(C)C
InChIInChI=1S/C12H21NS/c1-9(2)12(13-4)6-5-11-7-8-14-10(11)3/h7-9,12-13H,5-6H2,1-4H3
InChIKeyJOGUHUBXIQWRAO-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.23
Rot. Bonds5

About N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine

N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine (PubChem CID 102837787) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
PubChem CID102837787
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
SMILESCNC(CCc1ccsc1C)C(C)C
InChIInChI=1S/C12H21NS/c1-9(2)12(13-4)6-5-11-7-8-14-10(11)3/h7-9,12-13H,5-6H2,1-4H3
InChIKeyJOGUHUBXIQWRAO-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylthiophen-3-yl)pentan-3-amine
CID 102837782
3-(3-chloro-3-cyclopropylpropyl)-2-methylthiophene
CID 102837921
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-3-amine
CID 106864909
3-(3-bromopropyl)-2-methylthiophene
CID 102837926
2-(2-methylthiophen-3-yl)ethanol
CID 13144701
1-(2-methoxy-5-methylphenyl)-N,4-dimethylpentan-3-amine
CID 55041605
2-(2-methylthiophen-3-yl)ethanamine;hydrochloride
CID 19826894
1-(2-methylthiophen-3-yl)propan-2-ol
CID 67625732
2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine
CID 102837741
3-(4-fluorobutyl)-2-methylthiophene
CID 90141918
3-(2-methylthiophen-3-yl)propanenitrile
CID 18446531
1-(4-bromo-3-chloro-2-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 106763451

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine (CID 102837787) is N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine is CNC(CCc1ccsc1C)C(C)C.
What is the InChIKey of N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
The InChIKey is JOGUHUBXIQWRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)12(13-4)6-5-11-7-8-14-10(11)3/h7-9,12-13H,5-6H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine?
N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine has a molecular weight of 211.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methylthiophen-3-yl)pentan-3-amine is sourced from PubChem (CID 102837787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).