N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine

C13H21NOS — CID 104991220

IUPACN-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1csc(C)c1
InChIInChI=1S/C13H21NOS/c1-10-8-11(9-16-10)13(14-2)6-5-12-4-3-7-15-12/h8-9,12-14H,3-7H2,1-2H3
InChIKeyIPFKZFWYIMZJNC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104991220) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104991220
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1csc(C)c1
InChIInChI=1S/C13H21NOS/c1-10-8-11(9-16-10)13(14-2)6-5-12-4-3-7-15-12/h8-9,12-14H,3-7H2,1-2H3
InChIKeyIPFKZFWYIMZJNC-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 106848877
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104991220) is N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1csc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is IPFKZFWYIMZJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-8-11(9-16-10)13(14-2)6-5-12-4-3-7-15-12/h8-9,12-14H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104991220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).