[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

C11H20N2O2 — CID 123265578

IUPAC[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESC/N=C/C=C1CN(C(O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-9(8-13)5-6-12-4/h5-6,10,14H,7-8H2,1-4H3/b12-6+
InChIKeyYAPJMDKPIZZZJW-WUXMJOGZSA-N
MW212.29 g/mol
LogP1.02
Rot. Bonds3

About [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 123265578) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID123265578
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESC/N=C/C=C1CN(C(O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-9(8-13)5-6-12-4/h5-6,10,14H,7-8H2,1-4H3/b12-6+
InChIKeyYAPJMDKPIZZZJW-WUXMJOGZSA-N
XLogP1.02
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
CID 148583764
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
CID 123191389
2-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]benzoic acid
CID 91494222
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 123874112
[3-(5-bromo-3-pyridinyl)-2,5-dihydropyrrol-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 155187229
[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 146351009
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 123265578) is [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is C/N=C/C=C1CN(C(O)OC(C)(C)C)C1.
What is the InChIKey of [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is YAPJMDKPIZZZJW-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-9(8-13)5-6-12-4/h5-6,10,14H,7-8H2,1-4H3/b12-6+.
What are the key properties of [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 212.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 123265578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).