3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine

C13H27NOS — CID 115906035

IUPAC3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)CSCC)C1(C)C
InChIInChI=1S/C13H27NOS/c1-6-15-12-8-11(13(12,4)5)14-10(3)9-16-7-2/h10-12,14H,6-9H2,1-5H3
InChIKeyYHALGYOTSKTCBN-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds7

About 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 115906035) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
PubChem CID115906035
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)CSCC)C1(C)C
InChIInChI=1S/C13H27NOS/c1-6-15-12-8-11(13(12,4)5)14-10(3)9-16-7-2/h10-12,14H,6-9H2,1-5H3
InChIKeyYHALGYOTSKTCBN-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 115977674
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 103830771
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 115641518
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946
3-ethoxy-2,2-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclobutan-1-amine
CID 115906268
N-cyclopropyl-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112696347
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852133

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine (CID 115906035) is 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NC(C)CSCC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YHALGYOTSKTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-6-15-12-8-11(13(12,4)5)14-10(3)9-16-7-2/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 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-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 115906035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).