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

C14H23NS — CID 62600030

IUPACN-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1CC1
InChIInChI=1S/C14H23NS/c1-3-9-15-14(11-5-6-11)10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3
InChIKeyPXTHEFYMMCPJPB-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.63
Rot. Bonds7

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

N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 62600030) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID62600030
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1CC1
InChIInChI=1S/C14H23NS/c1-3-9-15-14(11-5-6-11)10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3
InChIKeyPXTHEFYMMCPJPB-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
[2-(5-ethylthiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229678
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 62600030) is N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)s1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is PXTHEFYMMCPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-9-15-14(11-5-6-11)10-13-8-7-12(4-2)16-13/h7-8,11,14-15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62600030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).