2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C13H21NS — CID 115713828

IUPAC2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCC(C)C2CC2)s1
InChIInChI=1S/C13H21NS/c1-9(12-5-6-12)8-14-11(3)13-7-4-10(2)15-13/h4,7,9,11-12,14H,5-6,8H2,1-3H3
InChIKeyKKVIWBZCNAHQLW-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.75
Rot. Bonds5

About 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115713828) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID115713828
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NCC(C)C2CC2)s1
InChIInChI=1S/C13H21NS/c1-9(12-5-6-12)8-14-11(3)13-7-4-10(2)15-13/h4,7,9,11-12,14H,5-6,8H2,1-3H3
InChIKeyKKVIWBZCNAHQLW-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

5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
2-cyclopropyl-N-methyl-2-(5-methylthiophen-2-yl)ethanamine
CID 83831086
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54898751
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 115713828) is 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is Cc1ccc(C(C)NCC(C)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is KKVIWBZCNAHQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(12-5-6-12)8-14-11(3)13-7-4-10(2)15-13/h4,7,9,11-12,14H,5-6,8H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]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-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115713828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).