2-methyl-1-(methylamino)pent-4-en-2-ol

C7H15NO — CID 79735741

IUPAC2-methyl-1-(methylamino)pent-4-en-2-ol
SMILESC=CCC(C)(O)CNC
InChIInChI=1S/C7H15NO/c1-4-5-7(2,9)6-8-3/h4,8-9H,1,5-6H2,2-3H3
InChIKeyGOYQHMXJXTUAJA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-1-(methylamino)pent-4-en-2-ol

2-methyl-1-(methylamino)pent-4-en-2-ol (PubChem CID 79735741) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)pent-4-en-2-ol
PubChem CID79735741
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-1-(methylamino)pent-4-en-2-ol
SMILESC=CCC(C)(O)CNC
InChIInChI=1S/C7H15NO/c1-4-5-7(2,9)6-8-3/h4,8-9H,1,5-6H2,2-3H3
InChIKeyGOYQHMXJXTUAJA-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.53
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 2-methyl-1-(methylamino)pent-4-en-2-ol?
The IUPAC name of 2-methyl-1-(methylamino)pent-4-en-2-ol (CID 79735741) is 2-methyl-1-(methylamino)pent-4-en-2-ol.
What is the SMILES notation for 2-methyl-1-(methylamino)pent-4-en-2-ol?
The canonical SMILES for 2-methyl-1-(methylamino)pent-4-en-2-ol is C=CCC(C)(O)CNC.
What is the InChIKey of 2-methyl-1-(methylamino)pent-4-en-2-ol?
The InChIKey is GOYQHMXJXTUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(2,9)6-8-3/h4,8-9H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-1-(methylamino)pent-4-en-2-ol?
2-methyl-1-(methylamino)pent-4-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)pent-4-en-2-ol is sourced from PubChem (CID 79735741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).