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

C6H13NO — CID 23599168

IUPAC3-methyl-3-(methylamino)but-1-en-2-ol
SMILESC=C(O)C(C)(C)NC
InChIInChI=1S/C6H13NO/c1-5(8)6(2,3)7-4/h7-8H,1H2,2-4H3
InChIKeyCSMNWIMLMFXZSX-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.06
Rot. Bonds2

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

3-methyl-3-(methylamino)but-1-en-2-ol (PubChem CID 23599168) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)but-1-en-2-ol.

Molecular Properties

Compound Name3-methyl-3-(methylamino)but-1-en-2-ol
PubChem CID23599168
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methyl-3-(methylamino)but-1-en-2-ol
SMILESC=C(O)C(C)(C)NC
InChIInChI=1S/C6H13NO/c1-5(8)6(2,3)7-4/h7-8H,1H2,2-4H3
InChIKeyCSMNWIMLMFXZSX-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylamino)but-1-en-2-ol?
The IUPAC name of 3-methyl-3-(methylamino)but-1-en-2-ol (CID 23599168) is 3-methyl-3-(methylamino)but-1-en-2-ol.
What is the SMILES notation for 3-methyl-3-(methylamino)but-1-en-2-ol?
The canonical SMILES for 3-methyl-3-(methylamino)but-1-en-2-ol is C=C(O)C(C)(C)NC.
What is the InChIKey of 3-methyl-3-(methylamino)but-1-en-2-ol?
The InChIKey is CSMNWIMLMFXZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(8)6(2,3)7-4/h7-8H,1H2,2-4H3.
What are the key properties of 3-methyl-3-(methylamino)but-1-en-2-ol?
3-methyl-3-(methylamino)but-1-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)but-1-en-2-ol is sourced from PubChem (CID 23599168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).