1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C11H23NOS — CID 104582605

IUPAC1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESC=CCCC(C)NCC(C)(O)CSC
InChIInChI=1S/C11H23NOS/c1-5-6-7-10(2)12-8-11(3,13)9-14-4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyOQQVOFBXUPFELM-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.04
Rot. Bonds8

About 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 104582605) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID104582605
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESC=CCCC(C)NCC(C)(O)CSC
InChIInChI=1S/C11H23NOS/c1-5-6-7-10(2)12-8-11(3,13)9-14-4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyOQQVOFBXUPFELM-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.04
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)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 104582605) is 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol is C=CCCC(C)NCC(C)(O)CSC.
What is the InChIKey of 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is OQQVOFBXUPFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-5-6-7-10(2)12-8-11(3,13)9-14-4/h5,10,12-13H,1,6-9H2,2-4H3.
What are the key properties of 1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(hex-5-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 217.38 g/mol, XLogP of 2.04, 8 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)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 104582605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).