3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine

C14H25NS — CID 102841960

IUPAC3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccsc1C
InChIInChI=1S/C14H25NS/c1-5-8-15-14(10-11(3)6-2)13-7-9-16-12(13)4/h7,9,11,14-15H,5-6,8,10H2,1-4H3
InChIKeySQCFYOCOHKOJDX-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.53
Rot. Bonds7

About 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine

3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine (PubChem CID 102841960) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
PubChem CID102841960
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccsc1C
InChIInChI=1S/C14H25NS/c1-5-8-15-14(10-11(3)6-2)13-7-9-16-12(13)4/h7,9,11,14-15H,5-6,8,10H2,1-4H3
InChIKeySQCFYOCOHKOJDX-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 102840351
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine (CID 102841960) is 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1ccsc1C.
What is the InChIKey of 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine?
The InChIKey is SQCFYOCOHKOJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-5-8-15-14(10-11(3)6-2)13-7-9-16-12(13)4/h7,9,11,14-15H,5-6,8,10H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine?
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 102841960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).