4-aminohexan-3-ol

C6H15NO — CID 12801384

IUPAC4-aminohexan-3-ol
SMILESCCC(N)C(O)CC
InChIInChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyIOYVGJNAPMXLLT-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.49
Rot. Bonds3

About 4-aminohexan-3-ol

4-aminohexan-3-ol (PubChem CID 12801384) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-aminohexan-3-ol.

Molecular Properties

Compound Name4-aminohexan-3-ol
PubChem CID12801384
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-aminohexan-3-ol
SMILESCCC(N)C(O)CC
InChIInChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyIOYVGJNAPMXLLT-UHFFFAOYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminohexan-3-ol?
The IUPAC name of 4-aminohexan-3-ol (CID 12801384) is 4-aminohexan-3-ol.
What is the SMILES notation for 4-aminohexan-3-ol?
The canonical SMILES for 4-aminohexan-3-ol is CCC(N)C(O)CC.
What is the InChIKey of 4-aminohexan-3-ol?
The InChIKey is IOYVGJNAPMXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-aminohexan-3-ol?
4-aminohexan-3-ol has a molecular weight of 117.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohexan-3-ol is sourced from PubChem (CID 12801384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).