3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine

C14H23NOS — CID 112553091

IUPAC3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
SMILESCCCC(NC1CC(OCC)C1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-3-6-13(14-7-5-8-17-14)15-11-9-12(10-11)16-4-2/h5,7-8,11-13,15H,3-4,6,9-10H2,1-2H3
InChIKeyZCZPMIUHBBFRGD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.75
Rot. Bonds7

About 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine

3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine (PubChem CID 112553091) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
PubChem CID112553091
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
SMILESCCCC(NC1CC(OCC)C1)c1cccs1
InChIInChI=1S/C14H23NOS/c1-3-6-13(14-7-5-8-17-14)15-11-9-12(10-11)16-4-2/h5,7-8,11-13,15H,3-4,6,9-10H2,1-2H3
InChIKeyZCZPMIUHBBFRGD-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
CID 112633907
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252071

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine (CID 112553091) is 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine is CCCC(NC1CC(OCC)C1)c1cccs1.
What is the InChIKey of 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
The InChIKey is ZCZPMIUHBBFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-6-13(14-7-5-8-17-14)15-11-9-12(10-11)16-4-2/h5,7-8,11-13,15H,3-4,6,9-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine?
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 112553091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).