3-ethyl-6-(propan-2-ylamino)hexan-3-ol

C11H25NO — CID 15889481

IUPAC3-ethyl-6-(propan-2-ylamino)hexan-3-ol
SMILESCCC(O)(CC)CCCNC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(13,6-2)8-7-9-12-10(3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyGADKRLKCKNQJQI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds7

About 3-ethyl-6-(propan-2-ylamino)hexan-3-ol

3-ethyl-6-(propan-2-ylamino)hexan-3-ol (PubChem CID 15889481) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-ethyl-6-(propan-2-ylamino)hexan-3-ol.

Molecular Properties

Compound Name3-ethyl-6-(propan-2-ylamino)hexan-3-ol
PubChem CID15889481
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-ethyl-6-(propan-2-ylamino)hexan-3-ol
SMILESCCC(O)(CC)CCCNC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(13,6-2)8-7-9-12-10(3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyGADKRLKCKNQJQI-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(propan-2-ylamino)hexan-3-ol?
The IUPAC name of 3-ethyl-6-(propan-2-ylamino)hexan-3-ol (CID 15889481) is 3-ethyl-6-(propan-2-ylamino)hexan-3-ol.
What is the SMILES notation for 3-ethyl-6-(propan-2-ylamino)hexan-3-ol?
The canonical SMILES for 3-ethyl-6-(propan-2-ylamino)hexan-3-ol is CCC(O)(CC)CCCNC(C)C.
What is the InChIKey of 3-ethyl-6-(propan-2-ylamino)hexan-3-ol?
The InChIKey is GADKRLKCKNQJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(13,6-2)8-7-9-12-10(3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-6-(propan-2-ylamino)hexan-3-ol?
3-ethyl-6-(propan-2-ylamino)hexan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(propan-2-ylamino)hexan-3-ol is sourced from PubChem (CID 15889481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).