4-amino-3-ethylhexan-3-ol

C8H19NO — CID 18515394

IUPAC4-amino-3-ethylhexan-3-ol
SMILESCCC(N)C(O)(CC)CC
InChIInChI=1S/C8H19NO/c1-4-7(9)8(10,5-2)6-3/h7,10H,4-6,9H2,1-3H3
InChIKeyMICRDKKVJPDJHX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds4

About 4-amino-3-ethylhexan-3-ol

4-amino-3-ethylhexan-3-ol (PubChem CID 18515394) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-amino-3-ethylhexan-3-ol.

Molecular Properties

Compound Name4-amino-3-ethylhexan-3-ol
PubChem CID18515394
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-amino-3-ethylhexan-3-ol
SMILESCCC(N)C(O)(CC)CC
InChIInChI=1S/C8H19NO/c1-4-7(9)8(10,5-2)6-3/h7,10H,4-6,9H2,1-3H3
InChIKeyMICRDKKVJPDJHX-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-ethylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethylhexan-3-ol?
The IUPAC name of 4-amino-3-ethylhexan-3-ol (CID 18515394) is 4-amino-3-ethylhexan-3-ol.
What is the SMILES notation for 4-amino-3-ethylhexan-3-ol?
The canonical SMILES for 4-amino-3-ethylhexan-3-ol is CCC(N)C(O)(CC)CC.
What is the InChIKey of 4-amino-3-ethylhexan-3-ol?
The InChIKey is MICRDKKVJPDJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(9)8(10,5-2)6-3/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-3-ethylhexan-3-ol?
4-amino-3-ethylhexan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethylhexan-3-ol is sourced from PubChem (CID 18515394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).