3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine

C12H25NOS — CID 104926478

IUPAC3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCCCSC)C1
InChIInChI=1S/C12H25NOS/c1-3-14-12-9-11(10-12)13-7-5-4-6-8-15-2/h11-13H,3-10H2,1-2H3
InChIKeyYTPXPZDIQHYSRL-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds9

About 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine

3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine (PubChem CID 104926478) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
PubChem CID104926478
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCCCSC)C1
InChIInChI=1S/C12H25NOS/c1-3-14-12-9-11(10-12)13-7-5-4-6-8-15-2/h11-13H,3-10H2,1-2H3
InChIKeyYTPXPZDIQHYSRL-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
3-[(2-methylpropan-2-yl)oxy]-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
CID 115972032
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 112553021
N-(4-methylsulfanylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 103087754
3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
CID 112554482
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
3-ethoxy-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 115903468
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine (CID 104926478) is 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine is CCOC1CC(NCCCCCSC)C1.
What is the InChIKey of 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine?
The InChIKey is YTPXPZDIQHYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-14-12-9-11(10-12)13-7-5-4-6-8-15-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine?
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine is sourced from PubChem (CID 104926478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).