N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine

C14H23NS — CID 115863501

IUPACN-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1sccc1C
InChIInChI=1S/C14H23NS/c1-3-8-15-13(10-12-5-4-6-12)14-11(2)7-9-16-14/h7,9,12-13,15H,3-6,8,10H2,1-2H3
InChIKeyMYCXSSNBXLTVQL-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.29
Rot. Bonds6

About N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115863501) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID115863501
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1sccc1C
InChIInChI=1S/C14H23NS/c1-3-8-15-13(10-12-5-4-6-12)14-11(2)7-9-16-14/h7,9,12-13,15H,3-6,8,10H2,1-2H3
InChIKeyMYCXSSNBXLTVQL-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine (CID 115863501) is N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1sccc1C.
What is the InChIKey of N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is MYCXSSNBXLTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-8-15-13(10-12-5-4-6-12)14-11(2)7-9-16-14/h7,9,12-13,15H,3-6,8,10H2,1-2H3.
What are the key properties of N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115863501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).