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

C7H15NO — CID 134463398

IUPAC4-methyl-1-(methylamino)pent-4-en-2-ol
SMILESC=C(C)CC(O)CNC
InChIInChI=1S/C7H15NO/c1-6(2)4-7(9)5-8-3/h7-9H,1,4-5H2,2-3H3
InChIKeySUJMNQJTYDHIKS-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds4

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

4-methyl-1-(methylamino)pent-4-en-2-ol (PubChem CID 134463398) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methyl-1-(methylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-(methylamino)pent-4-en-2-ol
PubChem CID134463398
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methyl-1-(methylamino)pent-4-en-2-ol
SMILESC=C(C)CC(O)CNC
InChIInChI=1S/C7H15NO/c1-6(2)4-7(9)5-8-3/h7-9H,1,4-5H2,2-3H3
InChIKeySUJMNQJTYDHIKS-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 4-methyl-1-(methylamino)pent-4-en-2-ol?
The IUPAC name of 4-methyl-1-(methylamino)pent-4-en-2-ol (CID 134463398) is 4-methyl-1-(methylamino)pent-4-en-2-ol.
What is the SMILES notation for 4-methyl-1-(methylamino)pent-4-en-2-ol?
The canonical SMILES for 4-methyl-1-(methylamino)pent-4-en-2-ol is C=C(C)CC(O)CNC.
What is the InChIKey of 4-methyl-1-(methylamino)pent-4-en-2-ol?
The InChIKey is SUJMNQJTYDHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-7(9)5-8-3/h7-9H,1,4-5H2,2-3H3.
What are the key properties of 4-methyl-1-(methylamino)pent-4-en-2-ol?
4-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 4-methyl-1-(methylamino)pent-4-en-2-ol is sourced from PubChem (CID 134463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).