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

C10H21NO — CID 79734696

IUPAC3-methyl-1-(propylamino)hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(3,12)7-9-11-8-5-2/h4,11-12H,1,5-9H2,2-3H3
InChIKeyUGWFURMJEJGUKD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds7

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

3-methyl-1-(propylamino)hex-5-en-3-ol (PubChem CID 79734696) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-1-(propylamino)hex-5-en-3-ol.

Molecular Properties

Compound Name3-methyl-1-(propylamino)hex-5-en-3-ol
PubChem CID79734696
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-1-(propylamino)hex-5-en-3-ol
SMILESC=CCC(C)(O)CCNCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(3,12)7-9-11-8-5-2/h4,11-12H,1,5-9H2,2-3H3
InChIKeyUGWFURMJEJGUKD-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
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-methyl-1-(propylamino)hex-5-en-3-ol?
The IUPAC name of 3-methyl-1-(propylamino)hex-5-en-3-ol (CID 79734696) is 3-methyl-1-(propylamino)hex-5-en-3-ol.
What is the SMILES notation for 3-methyl-1-(propylamino)hex-5-en-3-ol?
The canonical SMILES for 3-methyl-1-(propylamino)hex-5-en-3-ol is C=CCC(C)(O)CCNCCC.
What is the InChIKey of 3-methyl-1-(propylamino)hex-5-en-3-ol?
The InChIKey is UGWFURMJEJGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(3,12)7-9-11-8-5-2/h4,11-12H,1,5-9H2,2-3H3.
What are the key properties of 3-methyl-1-(propylamino)hex-5-en-3-ol?
3-methyl-1-(propylamino)hex-5-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propylamino)hex-5-en-3-ol is sourced from PubChem (CID 79734696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).