6-(pent-4-en-2-ylamino)hexan-2-ol

C11H23NO — CID 134439295

IUPAC6-(pent-4-en-2-ylamino)hexan-2-ol
SMILESC=CCC(C)NCCCCC(C)O
InChIInChI=1S/C11H23NO/c1-4-7-10(2)12-9-6-5-8-11(3)13/h4,10-13H,1,5-9H2,2-3H3
InChIKeyUWEILOOEWOFXFC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds8

About 6-(pent-4-en-2-ylamino)hexan-2-ol

6-(pent-4-en-2-ylamino)hexan-2-ol (PubChem CID 134439295) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(pent-4-en-2-ylamino)hexan-2-ol.

Molecular Properties

Compound Name6-(pent-4-en-2-ylamino)hexan-2-ol
PubChem CID134439295
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-(pent-4-en-2-ylamino)hexan-2-ol
SMILESC=CCC(C)NCCCCC(C)O
InChIInChI=1S/C11H23NO/c1-4-7-10(2)12-9-6-5-8-11(3)13/h4,10-13H,1,5-9H2,2-3H3
InChIKeyUWEILOOEWOFXFC-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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 6-(pent-4-en-2-ylamino)hexan-2-ol?
The IUPAC name of 6-(pent-4-en-2-ylamino)hexan-2-ol (CID 134439295) is 6-(pent-4-en-2-ylamino)hexan-2-ol.
What is the SMILES notation for 6-(pent-4-en-2-ylamino)hexan-2-ol?
The canonical SMILES for 6-(pent-4-en-2-ylamino)hexan-2-ol is C=CCC(C)NCCCCC(C)O.
What is the InChIKey of 6-(pent-4-en-2-ylamino)hexan-2-ol?
The InChIKey is UWEILOOEWOFXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-7-10(2)12-9-6-5-8-11(3)13/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 6-(pent-4-en-2-ylamino)hexan-2-ol?
6-(pent-4-en-2-ylamino)hexan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pent-4-en-2-ylamino)hexan-2-ol is sourced from PubChem (CID 134439295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).