1-amino-3-ethylhexan-2-ol

C8H19NO — CID 143109924

IUPAC1-amino-3-ethylhexan-2-ol
SMILESCCCC(CC)C(O)CN
InChIInChI=1S/C8H19NO/c1-3-5-7(4-2)8(10)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMONFNXPMLTVHCX-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 1-amino-3-ethylhexan-2-ol

1-amino-3-ethylhexan-2-ol (PubChem CID 143109924) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-amino-3-ethylhexan-2-ol.

Molecular Properties

Compound Name1-amino-3-ethylhexan-2-ol
PubChem CID143109924
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-amino-3-ethylhexan-2-ol
SMILESCCCC(CC)C(O)CN
InChIInChI=1S/C8H19NO/c1-3-5-7(4-2)8(10)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMONFNXPMLTVHCX-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3-ethylhexan-2-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 1-amino-3-ethylhexan-2-ol?
The IUPAC name of 1-amino-3-ethylhexan-2-ol (CID 143109924) is 1-amino-3-ethylhexan-2-ol.
What is the SMILES notation for 1-amino-3-ethylhexan-2-ol?
The canonical SMILES for 1-amino-3-ethylhexan-2-ol is CCCC(CC)C(O)CN.
What is the InChIKey of 1-amino-3-ethylhexan-2-ol?
The InChIKey is MONFNXPMLTVHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-7(4-2)8(10)6-9/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-amino-3-ethylhexan-2-ol?
1-amino-3-ethylhexan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylhexan-2-ol is sourced from PubChem (CID 143109924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).