(E)-2-methyl-4-(methylamino)but-2-en-1-ol

C6H13NO — CID 135301264

IUPAC(E)-2-methyl-4-(methylamino)but-2-en-1-ol
SMILESCNC/C=C(\C)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-4-7-2/h3,7-8H,4-5H2,1-2H3/b6-3+
InChIKeyMRGCPSFVFJJLOL-ZZXKWVIFSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds3

About (E)-2-methyl-4-(methylamino)but-2-en-1-ol

(E)-2-methyl-4-(methylamino)but-2-en-1-ol (PubChem CID 135301264) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-2-methyl-4-(methylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-(methylamino)but-2-en-1-ol
PubChem CID135301264
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-2-methyl-4-(methylamino)but-2-en-1-ol
SMILESCNC/C=C(\C)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-4-7-2/h3,7-8H,4-5H2,1-2H3/b6-3+
InChIKeyMRGCPSFVFJJLOL-ZZXKWVIFSA-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 (E)-2-methyl-4-(methylamino)but-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-(methylamino)but-2-en-1-ol (CID 135301264) is (E)-2-methyl-4-(methylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-(methylamino)but-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-(methylamino)but-2-en-1-ol is CNC/C=C(\C)CO.
What is the InChIKey of (E)-2-methyl-4-(methylamino)but-2-en-1-ol?
The InChIKey is MRGCPSFVFJJLOL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8)3-4-7-2/h3,7-8H,4-5H2,1-2H3/b6-3+.
What are the key properties of (E)-2-methyl-4-(methylamino)but-2-en-1-ol?
(E)-2-methyl-4-(methylamino)but-2-en-1-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 (E)-2-methyl-4-(methylamino)but-2-en-1-ol is sourced from PubChem (CID 135301264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).