N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine

C13H21NS — CID 115694272

IUPACN-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCCC1(CNCc2cccs2)CCC1
InChIInChI=1S/C13H21NS/c1-2-6-13(7-4-8-13)11-14-10-12-5-3-9-15-12/h3,5,9,14H,2,4,6-8,10-11H2,1H3
InChIKeyUZVOSGKPRAUJGK-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.81
Rot. Bonds6

About N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine

N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 115694272) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID115694272
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCCC1(CNCc2cccs2)CCC1
InChIInChI=1S/C13H21NS/c1-2-6-13(7-4-8-13)11-14-10-12-5-3-9-15-12/h3,5,9,14H,2,4,6-8,10-11H2,1H3
InChIKeyUZVOSGKPRAUJGK-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine (CID 115694272) is N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine is CCCC1(CNCc2cccs2)CCC1.
What is the InChIKey of N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is UZVOSGKPRAUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-6-13(7-4-8-13)11-14-10-12-5-3-9-15-12/h3,5,9,14H,2,4,6-8,10-11H2,1H3.
What are the key properties of N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine?
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 115694272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).