cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine

C15H30N2O2 — CID 124845597

IUPACcis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CN(C)CCO2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-6-18-14-9-13(15(14,3)4)16-11(2)12-10-17(5)7-8-19-12/h11-14,16H,6-10H2,1-5H3/t11-,12+,13+,14-/m1/s1
InChIKeyOMBYQXWKUWRLHY-ZOBORPQBSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds5

About cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine

cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine (PubChem CID 124845597) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine
PubChem CID124845597
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namecis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine
SMILESCCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CN(C)CCO2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-6-18-14-9-13(15(14,3)4)16-11(2)12-10-17(5)7-8-19-12/h11-14,16H,6-10H2,1-5H3/t11-,12+,13+,14-/m1/s1
InChIKeyOMBYQXWKUWRLHY-ZOBORPQBSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine with MolForge

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Related Compounds

2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 79082844
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 64852708
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]pentan-3-amine
CID 115894923
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946
trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 98891135
3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 115906035
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine (CID 124845597) is cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine is CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CN(C)CCO2)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine?
The InChIKey is OMBYQXWKUWRLHY-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-18-14-9-13(15(14,3)4)16-11(2)12-10-17(5)7-8-19-12/h11-14,16H,6-10H2,1-5H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine?
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 124845597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).