N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine

C13H21NOS — CID 104584449

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(C)sc2C)C1
InChIInChI=1S/C13H21NOS/c1-8-5-13(10(3)16-8)9(2)14-11-6-12(7-11)15-4/h5,9,11-12,14H,6-7H2,1-4H3
InChIKeyFWJQDIOGTVAGNT-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 104584449) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID104584449
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(C)sc2C)C1
InChIInChI=1S/C13H21NOS/c1-8-5-13(10(3)16-8)9(2)14-11-6-12(7-11)15-4/h5,9,11-12,14H,6-7H2,1-4H3
InChIKeyFWJQDIOGTVAGNT-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584504
3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104871887
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43432492
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730358
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 83228314
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43432482
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662147

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine (CID 104584449) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2cc(C)sc2C)C1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is FWJQDIOGTVAGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-8-5-13(10(3)16-8)9(2)14-11-6-12(7-11)15-4/h5,9,11-12,14H,6-7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104584449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).