3-methyl-1-(methylamino)hex-5-en-3-ol

C8H17NO — CID 79734598

IUPAC3-methyl-1-(methylamino)hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNC
InChIInChI=1S/C8H17NO/c1-4-5-8(2,10)6-7-9-3/h4,9-10H,1,5-7H2,2-3H3
InChIKeyYHITVGQETKJWPW-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds5

About 3-methyl-1-(methylamino)hex-5-en-3-ol

3-methyl-1-(methylamino)hex-5-en-3-ol (PubChem CID 79734598) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-1-(methylamino)hex-5-en-3-ol.

Molecular Properties

Compound Name3-methyl-1-(methylamino)hex-5-en-3-ol
PubChem CID79734598
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-1-(methylamino)hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNC
InChIInChI=1S/C8H17NO/c1-4-5-8(2,10)6-7-9-3/h4,9-10H,1,5-7H2,2-3H3
InChIKeyYHITVGQETKJWPW-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
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)hex-5-en-3-ol?
The IUPAC name of 3-methyl-1-(methylamino)hex-5-en-3-ol (CID 79734598) is 3-methyl-1-(methylamino)hex-5-en-3-ol.
What is the SMILES notation for 3-methyl-1-(methylamino)hex-5-en-3-ol?
The canonical SMILES for 3-methyl-1-(methylamino)hex-5-en-3-ol is C=CCC(C)(O)CCNC.
What is the InChIKey of 3-methyl-1-(methylamino)hex-5-en-3-ol?
The InChIKey is YHITVGQETKJWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-8(2,10)6-7-9-3/h4,9-10H,1,5-7H2,2-3H3.
What are the key properties of 3-methyl-1-(methylamino)hex-5-en-3-ol?
3-methyl-1-(methylamino)hex-5-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylamino)hex-5-en-3-ol is sourced from PubChem (CID 79734598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).