N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

C13H21NOS — CID 104986393

IUPACN-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1sccc1OC
InChIInChI=1S/C13H21NOS/c1-3-7-14-11(9-10-4-5-10)13-12(15-2)6-8-16-13/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyHWBLUVCKEDEQKB-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.60
Rot. Bonds7

About N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 104986393) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID104986393
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1sccc1OC
InChIInChI=1S/C13H21NOS/c1-3-7-14-11(9-10-4-5-10)13-12(15-2)6-8-16-13/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyHWBLUVCKEDEQKB-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847088
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 105012929
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 104986393) is N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(CC1CC1)c1sccc1OC.
What is the InChIKey of N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is HWBLUVCKEDEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-7-14-11(9-10-4-5-10)13-12(15-2)6-8-16-13/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104986393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).