2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol

C11H21NO2 — CID 107268234

IUPAC2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol
SMILESCC(C)=CCNCC1(O)CCOC1C
InChIInChI=1S/C11H21NO2/c1-9(2)4-6-12-8-11(13)5-7-14-10(11)3/h4,10,12-13H,5-8H2,1-3H3
InChIKeyWAUCCELLGPVUPW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds4

About 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol

2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol (PubChem CID 107268234) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol
PubChem CID107268234
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol
SMILESCC(C)=CCNCC1(O)CCOC1C
InChIInChI=1S/C11H21NO2/c1-9(2)4-6-12-8-11(13)5-7-14-10(11)3/h4,10,12-13H,5-8H2,1-3H3
InChIKeyWAUCCELLGPVUPW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol (CID 107268234) is 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol is CC(C)=CCNCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol?
The InChIKey is WAUCCELLGPVUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)4-6-12-8-11(13)5-7-14-10(11)3/h4,10,12-13H,5-8H2,1-3H3.
What are the key properties of 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol?
2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylbut-2-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 107268234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).