4-amino-5-propyloctan-4-ol

C11H25NO — CID 18625026

IUPAC4-amino-5-propyloctan-4-ol
SMILESCCCC(CCC)C(N)(O)CCC
InChIInChI=1S/C11H25NO/c1-4-7-10(8-5-2)11(12,13)9-6-3/h10,13H,4-9,12H2,1-3H3
InChIKeyHHKPBHKFISUWGE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.65
Rot. Bonds7

About 4-amino-5-propyloctan-4-ol

4-amino-5-propyloctan-4-ol (PubChem CID 18625026) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-amino-5-propyloctan-4-ol.

Molecular Properties

Compound Name4-amino-5-propyloctan-4-ol
PubChem CID18625026
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-amino-5-propyloctan-4-ol
SMILESCCCC(CCC)C(N)(O)CCC
InChIInChI=1S/C11H25NO/c1-4-7-10(8-5-2)11(12,13)9-6-3/h10,13H,4-9,12H2,1-3H3
InChIKeyHHKPBHKFISUWGE-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyloctan-4-ol?
The IUPAC name of 4-amino-5-propyloctan-4-ol (CID 18625026) is 4-amino-5-propyloctan-4-ol.
What is the SMILES notation for 4-amino-5-propyloctan-4-ol?
The canonical SMILES for 4-amino-5-propyloctan-4-ol is CCCC(CCC)C(N)(O)CCC.
What is the InChIKey of 4-amino-5-propyloctan-4-ol?
The InChIKey is HHKPBHKFISUWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-10(8-5-2)11(12,13)9-6-3/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 4-amino-5-propyloctan-4-ol?
4-amino-5-propyloctan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyloctan-4-ol is sourced from PubChem (CID 18625026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).