[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol

C11H21NO2 — CID 129288586

IUPAC[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol
SMILESC=C(NC1(CO)CCC1)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(14-10(2,3)4)12-11(8-13)6-5-7-11/h12-13H,1,5-8H2,2-4H3
InChIKeyHLHOSFGWNJFXGX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.78
Rot. Bonds4

About [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol

[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol (PubChem CID 129288586) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol
PubChem CID129288586
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol
SMILESC=C(NC1(CO)CCC1)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9(14-10(2,3)4)12-11(8-13)6-5-7-11/h12-13H,1,5-8H2,2-4H3
InChIKeyHLHOSFGWNJFXGX-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)-1-methylazepan-4-yl]carbamate
CID 84806018
2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
CID 114329200
1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
CID 114493748
N-[1-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968618
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 112555055
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
CID 62679590
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 62550986

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol?
The IUPAC name of [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol (CID 129288586) is [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol is C=C(NC1(CO)CCC1)OC(C)(C)C.
What is the InChIKey of [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol?
The InChIKey is HLHOSFGWNJFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(14-10(2,3)4)12-11(8-13)6-5-7-11/h12-13H,1,5-8H2,2-4H3.
What are the key properties of [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol?
[1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol has a molecular weight of 199.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]cyclobutyl]methanol is sourced from PubChem (CID 129288586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).