N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine

C14H23NS — CID 81017720

IUPACN-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1CCc1cccs1
InChIInChI=1S/C14H23NS/c1-2-9-15-11-13-6-5-12(13)7-8-14-4-3-10-16-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3
InChIKeyXWEBLYQGFRKWHN-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.71
Rot. Bonds7

About N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine

N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81017720) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
PubChem CID81017720
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1CCc1cccs1
InChIInChI=1S/C14H23NS/c1-2-9-15-11-13-6-5-12(13)7-8-14-4-3-10-16-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3
InChIKeyXWEBLYQGFRKWHN-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
CID 83195896
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
CID 64909685
N-[(2-thiophen-2-yloxan-3-yl)methyl]propan-1-amine
CID 79365098
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine (CID 81017720) is N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1CCc1cccs1.
What is the InChIKey of N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is XWEBLYQGFRKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-9-15-11-13-6-5-12(13)7-8-14-4-3-10-16-14/h3-4,10,12-13,15H,2,5-9,11H2,1H3.
What are the key properties of N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81017720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).