2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol

C11H23NO3 — CID 106402046

IUPAC2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol
SMILESC=CCCOCCNCC(C)(CO)CO
InChIInChI=1S/C11H23NO3/c1-3-4-6-15-7-5-12-8-11(2,9-13)10-14/h3,12-14H,1,4-10H2,2H3
InChIKeyMJEPNWFSKNJJQI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.16
Rot. Bonds10

About 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol

2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol (PubChem CID 106402046) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol
PubChem CID106402046
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol
SMILESC=CCCOCCNCC(C)(CO)CO
InChIInChI=1S/C11H23NO3/c1-3-4-6-15-7-5-12-8-11(2,9-13)10-14/h3,12-14H,1,4-10H2,2H3
InChIKeyMJEPNWFSKNJJQI-UHFFFAOYSA-N
XLogP0.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxypropylamino)but-3-en-1-ol
CID 121330217
1-[3-(3-Hydroxypropoxy)propylamino]but-3-en-1-ol
CID 139439293
3-[2-(Pent-4-enylamino)ethoxy]propan-1-ol
CID 153618181
2-[2-[2-(But-3-enylamino)ethoxy]ethylamino]ethanol
CID 164164057
3-but-3-enoxy-N-(2-methoxyethyl)propan-1-amine
CID 62597312
N-(2-but-3-enoxyethyl)-3-methoxypropan-1-amine
CID 62597649
N-(2-but-3-enoxyethyl)-3-ethoxypropan-1-amine
CID 62599385
2-(But-3-enylamino)-2-methylpropane-1,3-diol
CID 81963532
N-(2-methoxyethyl)-2-(methoxymethyl)-2-methylbut-3-en-1-amine
CID 102641659
2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641676
N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine
CID 102672738
1-(2-But-3-enoxyethylamino)-2-methylpropan-2-ol
CID 103852823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol (CID 106402046) is 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol is C=CCCOCCNCC(C)(CO)CO.
What is the InChIKey of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol?
The InChIKey is MJEPNWFSKNJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-4-6-15-7-5-12-8-11(2,9-13)10-14/h3,12-14H,1,4-10H2,2H3.
What are the key properties of 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol?
2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol has a molecular weight of 217.31 g/mol, XLogP of 0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-but-3-enoxyethylamino)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 106402046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).