1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol

C12H25NO2 — CID 104582511

IUPAC1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESC=CCCC(C)NCC(C)(O)CCOC
InChIInChI=1S/C12H25NO2/c1-5-6-7-11(2)13-10-12(3,14)8-9-15-4/h5,11,13-14H,1,6-10H2,2-4H3
InChIKeyPIWRHYMIDQOQBS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.72
Rot. Bonds9

About 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol

1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 104582511) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID104582511
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESC=CCCC(C)NCC(C)(O)CCOC
InChIInChI=1S/C12H25NO2/c1-5-6-7-11(2)13-10-12(3,14)8-9-15-4/h5,11,13-14H,1,6-10H2,2-4H3
InChIKeyPIWRHYMIDQOQBS-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol (CID 104582511) is 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol is C=CCCC(C)NCC(C)(O)CCOC.
What is the InChIKey of 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is PIWRHYMIDQOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-7-11(2)13-10-12(3,14)8-9-15-4/h5,11,13-14H,1,6-10H2,2-4H3.
What are the key properties of 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol?
1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hex-5-en-2-ylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 104582511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).