2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol

C8H17NO2 — CID 107907644

IUPAC2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
SMILESC=CC(C)NC(C)(CO)CO
InChIInChI=1S/C8H17NO2/c1-4-7(2)9-8(3,5-10)6-11/h4,7,9-11H,1,5-6H2,2-3H3
InChIKeyZAXNDMVNIQRBOX-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.11
Rot. Bonds5

About 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol

2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol (PubChem CID 107907644) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
PubChem CID107907644
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
SMILESC=CC(C)NC(C)(CO)CO
InChIInChI=1S/C8H17NO2/c1-4-7(2)9-8(3,5-10)6-11/h4,7,9-11H,1,5-6H2,2-3H3
InChIKeyZAXNDMVNIQRBOX-UHFFFAOYSA-N
XLogP-0.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.11
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-(but-3-en-2-ylamino)-2-methylpropanamide
CID 107906717
2-(1-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 87771236
N-but-3-en-2-ylhydroxylamine
CID 18467379
2-(ethenylamino)-2-methylbutan-1-ol
CID 164540585
N-but-3-en-2-yl-2-methylpropan-1-amine
CID 115876759
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid
CID 87824147
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol
CID 130641116
2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
CID 106452373
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162
1-(but-3-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246962

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol (CID 107907644) is 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol is C=CC(C)NC(C)(CO)CO.
What is the InChIKey of 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol?
The InChIKey is ZAXNDMVNIQRBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(2)9-8(3,5-10)6-11/h4,7,9-11H,1,5-6H2,2-3H3.
What are the key properties of 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol?
2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 107907644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).