4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol

C14H29NO3 — CID 106245384

IUPAC4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
SMILESCCOC1CC(NCCC(O)COC)C1(C)CC
InChIInChI=1S/C14H29NO3/c1-5-14(3)12(9-13(14)18-6-2)15-8-7-11(16)10-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyFYDOFFIBPSUHTP-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.57
Rot. Bonds9

About 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol

4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol (PubChem CID 106245384) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
PubChem CID106245384
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
SMILESCCOC1CC(NCCC(O)COC)C1(C)CC
InChIInChI=1S/C14H29NO3/c1-5-14(3)12(9-13(14)18-6-2)15-8-7-11(16)10-17-4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyFYDOFFIBPSUHTP-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol (CID 106245384) is 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol is CCOC1CC(NCCC(O)COC)C1(C)CC.
What is the InChIKey of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol?
The InChIKey is FYDOFFIBPSUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-14(3)12(9-13(14)18-6-2)15-8-7-11(16)10-17-4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol?
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106245384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).