3,5-dimethyl-1-(propylamino)hex-4-en-3-ol

C11H23NO — CID 79179733

IUPAC3,5-dimethyl-1-(propylamino)hex-4-en-3-ol
SMILESCCCNCCC(C)(O)C=C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-8-6-11(4,13)9-10(2)3/h9,12-13H,5-8H2,1-4H3
InChIKeyWKCRLAOYCZHGBP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds6

About 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol

3,5-dimethyl-1-(propylamino)hex-4-en-3-ol (PubChem CID 79179733) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(propylamino)hex-4-en-3-ol
PubChem CID79179733
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,5-dimethyl-1-(propylamino)hex-4-en-3-ol
SMILESCCCNCCC(C)(O)C=C(C)C
InChIInChI=1S/C11H23NO/c1-5-7-12-8-6-11(4,13)9-10(2)3/h9,12-13H,5-8H2,1-4H3
InChIKeyWKCRLAOYCZHGBP-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol?
The IUPAC name of 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol (CID 79179733) is 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol.
What is the SMILES notation for 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol?
The canonical SMILES for 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol is CCCNCCC(C)(O)C=C(C)C.
What is the InChIKey of 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol?
The InChIKey is WKCRLAOYCZHGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-12-8-6-11(4,13)9-10(2)3/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol?
3,5-dimethyl-1-(propylamino)hex-4-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(propylamino)hex-4-en-3-ol is sourced from PubChem (CID 79179733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).