1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol

C9H19NO2 — CID 114616793

IUPAC1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COCC
InChIInChI=1S/C9H19NO2/c1-4-12-7-9(11)6-10-5-8(2)3/h9-11H,2,4-7H2,1,3H3
InChIKeyJNZJJCFDMXQWEH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

About 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol

1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol (PubChem CID 114616793) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
PubChem CID114616793
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
SMILESC=C(C)CNCC(O)COCC
InChIInChI=1S/C9H19NO2/c1-4-12-7-9(11)6-10-5-8(2)3/h9-11H,2,4-7H2,1,3H3
InChIKeyJNZJJCFDMXQWEH-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
CID 126611622
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-ethoxy-4-methylidenehexan-2-ol
CID 66046480
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol (CID 114616793) is 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol is C=C(C)CNCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol?
The InChIKey is JNZJJCFDMXQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-12-7-9(11)6-10-5-8(2)3/h9-11H,2,4-7H2,1,3H3.
What are the key properties of 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol?
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol is sourced from PubChem (CID 114616793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).