3-methyl-1-(methylamino)but-3-en-2-ol

C6H13NO — CID 79178214

IUPAC3-methyl-1-(methylamino)but-3-en-2-ol
SMILESC=C(C)C(O)CNC
InChIInChI=1S/C6H13NO/c1-5(2)6(8)4-7-3/h6-8H,1,4H2,2-3H3
InChIKeyIFZVBWKKMWZUGA-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds3

About 3-methyl-1-(methylamino)but-3-en-2-ol

3-methyl-1-(methylamino)but-3-en-2-ol (PubChem CID 79178214) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)but-3-en-2-ol.

Molecular Properties

Compound Name3-methyl-1-(methylamino)but-3-en-2-ol
PubChem CID79178214
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methyl-1-(methylamino)but-3-en-2-ol
SMILESC=C(C)C(O)CNC
InChIInChI=1S/C6H13NO/c1-5(2)6(8)4-7-3/h6-8H,1,4H2,2-3H3
InChIKeyIFZVBWKKMWZUGA-UHFFFAOYSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylamino)but-3-en-2-ol?
The IUPAC name of 3-methyl-1-(methylamino)but-3-en-2-ol (CID 79178214) is 3-methyl-1-(methylamino)but-3-en-2-ol.
What is the SMILES notation for 3-methyl-1-(methylamino)but-3-en-2-ol?
The canonical SMILES for 3-methyl-1-(methylamino)but-3-en-2-ol is C=C(C)C(O)CNC.
What is the InChIKey of 3-methyl-1-(methylamino)but-3-en-2-ol?
The InChIKey is IFZVBWKKMWZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6(8)4-7-3/h6-8H,1,4H2,2-3H3.
What are the key properties of 3-methyl-1-(methylamino)but-3-en-2-ol?
3-methyl-1-(methylamino)but-3-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)but-3-en-2-ol is sourced from PubChem (CID 79178214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).