N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine

C13H21NS — CID 64998229

IUPACN-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2cccs2)CC(C)(C)C1
InChIInChI=1S/C13H21NS/c1-4-14-10-13(8-12(2,3)9-13)11-6-5-7-15-11/h5-7,14H,4,8-10H2,1-3H3
InChIKeyWUCBBAVYYXEQIK-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.42
Rot. Bonds4

About N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine

N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine (PubChem CID 64998229) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine
PubChem CID64998229
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2cccs2)CC(C)(C)C1
InChIInChI=1S/C13H21NS/c1-4-14-10-13(8-12(2,3)9-13)11-6-5-7-15-11/h5-7,14H,4,8-10H2,1-3H3
InChIKeyWUCBBAVYYXEQIK-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine (CID 64998229) is N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine is CCNCC1(c2cccs2)CC(C)(C)C1.
What is the InChIKey of N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine?
The InChIKey is WUCBBAVYYXEQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-14-10-13(8-12(2,3)9-13)11-6-5-7-15-11/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine?
N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 64998229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).