1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol

C10H21NO2 — CID 60635132

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-11-7-9(12)8-13-10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyVAZOGCFEKJLCHZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol (PubChem CID 60635132) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol
PubChem CID60635132
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-11-7-9(12)8-13-10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyVAZOGCFEKJLCHZ-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
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 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol (CID 60635132) is 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is VAZOGCFEKJLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-11-7-9(12)8-13-10(2,3)4/h5,9,11-12H,1,6-8H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 60635132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).