2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol

C12H25NO3 — CID 65315597

IUPAC2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
SMILESCCOC1CC(NC(CO)CO)C1(C)CC
InChIInChI=1S/C12H25NO3/c1-4-12(3)10(6-11(12)16-5-2)13-9(7-14)8-15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyRGVJYPVYLOATDO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.52
Rot. Bonds7

About 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol

2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol (PubChem CID 65315597) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
PubChem CID65315597
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
SMILESCCOC1CC(NC(CO)CO)C1(C)CC
InChIInChI=1S/C12H25NO3/c1-4-12(3)10(6-11(12)16-5-2)13-9(7-14)8-15/h9-11,13-15H,4-8H2,1-3H3
InChIKeyRGVJYPVYLOATDO-UHFFFAOYSA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-ethyl-N-hexan-3-yl-2-methylcyclobutan-1-amine
CID 65169181
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-2-methylsulfanylbutan-1-ol
CID 106159068
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65167586
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]butan-1-ol
CID 104980931
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol (CID 65315597) is 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol is CCOC1CC(NC(CO)CO)C1(C)CC.
What is the InChIKey of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol?
The InChIKey is RGVJYPVYLOATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-12(3)10(6-11(12)16-5-2)13-9(7-14)8-15/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol?
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol has a molecular weight of 231.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol is sourced from PubChem (CID 65315597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).