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

C13H21NS — CID 83153909

IUPAC2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCNC(c1sccc1C)C(C)C1CC1
InChIInChI=1S/C13H21NS/c1-4-14-12(10(3)11-5-6-11)13-9(2)7-8-15-13/h7-8,10-12,14H,4-6H2,1-3H3
InChIKeyPPMFXXXJLKZGDS-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.75
Rot. Bonds5

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

2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 83153909) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID83153909
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCNC(c1sccc1C)C(C)C1CC1
InChIInChI=1S/C13H21NS/c1-4-14-12(10(3)11-5-6-11)13-9(2)7-8-15-13/h7-8,10-12,14H,4-6H2,1-3H3
InChIKeyPPMFXXXJLKZGDS-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine (CID 83153909) is 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine is CCNC(c1sccc1C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is PPMFXXXJLKZGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-14-12(10(3)11-5-6-11)13-9(2)7-8-15-13/h7-8,10-12,14H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 223.38 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 2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 83153909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).