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

C11H19NS — CID 65102007

IUPACN-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine
SMILESCCNCC(C)Cc1csc(C)c1
InChIInChI=1S/C11H19NS/c1-4-12-7-9(2)5-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyILZPKNSCHNVOQF-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.84
Rot. Bonds5

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

N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 65102007) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID65102007
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine
SMILESCCNCC(C)Cc1csc(C)c1
InChIInChI=1S/C11H19NS/c1-4-12-7-9(2)5-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyILZPKNSCHNVOQF-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine (CID 65102007) is N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine is CCNCC(C)Cc1csc(C)c1.
What is the InChIKey of N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is ILZPKNSCHNVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-12-7-9(2)5-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine?
N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 65102007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).