2-ethenoxypropan-2-amine

C5H11NO — CID 154086052

IUPAC2-ethenoxypropan-2-amine
SMILESC=COC(C)(C)N
InChIInChI=1S/C5H11NO/c1-4-7-5(2,3)6/h4H,1,6H2,2-3H3
InChIKeyWDDWESWIHQSOGL-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds2

About 2-ethenoxypropan-2-amine

2-ethenoxypropan-2-amine (PubChem CID 154086052) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-ethenoxypropan-2-amine.

Molecular Properties

Compound Name2-ethenoxypropan-2-amine
PubChem CID154086052
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-ethenoxypropan-2-amine
SMILESC=COC(C)(C)N
InChIInChI=1S/C5H11NO/c1-4-7-5(2,3)6/h4H,1,6H2,2-3H3
InChIKeyWDDWESWIHQSOGL-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,1-bis(ethenoxy)ethane
CID 24973192
2-ethenoxy-2-propan-2-yloxypropane
CID 91036163
potassium 1,1-bis(ethenoxy)ethyl-dithiocarboxyazanide
CID 170552790
1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
CID 23539973
(1-cyclopentyl-1-ethenoxyethyl)cyclopentane
CID 175531377
1,2-bis(ethenoxy)propan-2-ol
CID 150121763
2-methylhex-5-en-2-amine;hydrobromide
CID 173131592
2-(2-ethenoxypropan-2-yloxy)ethyl acetate
CID 139969474
1,4-bis(1-ethenoxy-1-phenylethyl)benzene
CID 22935837
2-ethenoxy-1,2-diethoxypropane
CID 173023093
1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
CID 87288229
2-ethenoxy-2-methylpropane;phenylphosphane
CID 68556774

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxypropan-2-amine?
The IUPAC name of 2-ethenoxypropan-2-amine (CID 154086052) is 2-ethenoxypropan-2-amine.
What is the SMILES notation for 2-ethenoxypropan-2-amine?
The canonical SMILES for 2-ethenoxypropan-2-amine is C=COC(C)(C)N.
What is the InChIKey of 2-ethenoxypropan-2-amine?
The InChIKey is WDDWESWIHQSOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-7-5(2,3)6/h4H,1,6H2,2-3H3.
What are the key properties of 2-ethenoxypropan-2-amine?
2-ethenoxypropan-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypropan-2-amine is sourced from PubChem (CID 154086052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).