2-ethyl-2-(prop-2-enylamino)propane-1,3-diol

C8H17NO2 — CID 20751100

IUPAC2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
SMILESC=CCNC(CC)(CO)CO
InChIInChI=1S/C8H17NO2/c1-3-5-9-8(4-2,6-10)7-11/h3,9-11H,1,4-7H2,2H3
InChIKeyLBJBAZGSAWQGDZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.10
Rot. Bonds6

About 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol

2-ethyl-2-(prop-2-enylamino)propane-1,3-diol (PubChem CID 20751100) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
PubChem CID20751100
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
SMILESC=CCNC(CC)(CO)CO
InChIInChI=1S/C8H17NO2/c1-3-5-9-8(4-2,6-10)7-11/h3,9-11H,1,4-7H2,2H3
InChIKeyLBJBAZGSAWQGDZ-UHFFFAOYSA-N
XLogP-0.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
CID 79278740
2-ethyl-2-[[(E)-5-methylhex-2-enyl]amino]propane-1,3-diol
CID 59434652
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-ene-1-sulfonamide
CID 107866738
ethyl (E)-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]but-2-enoate
CID 107865377
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
2,2-diethyl-N-prop-2-enylbutanethioamide
CID 23622245
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-prop-2-enylurea
CID 87348247
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
2-ethyl-2-(prop-2-ynylamino)butan-1-ol
CID 62517969

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol (CID 20751100) is 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol is C=CCNC(CC)(CO)CO.
What is the InChIKey of 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol?
The InChIKey is LBJBAZGSAWQGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-9-8(4-2,6-10)7-11/h3,9-11H,1,4-7H2,2H3.
What are the key properties of 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol?
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(prop-2-enylamino)propane-1,3-diol is sourced from PubChem (CID 20751100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).