ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol

C13H29NO2 — CID 177239930

IUPACethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol
SMILESC=CCNC(C)(C)COCC(C)(C)O.CC
InChIInChI=1S/C11H23NO2.C2H6/c1-6-7-12-10(2,3)8-14-9-11(4,5)13;1-2/h6,12-13H,1,7-9H2,2-5H3;1-2H3
InChIKeyPSFZOAHBZZRIIG-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.35
Rot. Bonds7

About ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol

ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol (PubChem CID 177239930) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol
PubChem CID177239930
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol
SMILESC=CCNC(C)(C)COCC(C)(C)O.CC
InChIInChI=1S/C11H23NO2.C2H6/c1-6-7-12-10(2,3)8-14-9-11(4,5)13;1-2/h6,12-13H,1,7-9H2,2-5H3;1-2H3
InChIKeyPSFZOAHBZZRIIG-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol?
The IUPAC name of ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol (CID 177239930) is ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol is C=CCNC(C)(C)COCC(C)(C)O.CC.
What is the InChIKey of ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol?
The InChIKey is PSFZOAHBZZRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C2H6/c1-6-7-12-10(2,3)8-14-9-11(4,5)13;1-2/h6,12-13H,1,7-9H2,2-5H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol?
ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol is sourced from PubChem (CID 177239930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).