4-amino-2-ethylhexan-1-ol

C8H19NO — CID 148917024

IUPAC4-amino-2-ethylhexan-1-ol
SMILESCCC(N)CC(CC)CO
InChIInChI=1S/C8H19NO/c1-3-7(6-10)5-8(9)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGZVCWTMUFSIMGF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 4-amino-2-ethylhexan-1-ol

4-amino-2-ethylhexan-1-ol (PubChem CID 148917024) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-amino-2-ethylhexan-1-ol.

Molecular Properties

Compound Name4-amino-2-ethylhexan-1-ol
PubChem CID148917024
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-amino-2-ethylhexan-1-ol
SMILESCCC(N)CC(CC)CO
InChIInChI=1S/C8H19NO/c1-3-7(6-10)5-8(9)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGZVCWTMUFSIMGF-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylhexan-1-ol?
The IUPAC name of 4-amino-2-ethylhexan-1-ol (CID 148917024) is 4-amino-2-ethylhexan-1-ol.
What is the SMILES notation for 4-amino-2-ethylhexan-1-ol?
The canonical SMILES for 4-amino-2-ethylhexan-1-ol is CCC(N)CC(CC)CO.
What is the InChIKey of 4-amino-2-ethylhexan-1-ol?
The InChIKey is GZVCWTMUFSIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-7(6-10)5-8(9)4-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 4-amino-2-ethylhexan-1-ol?
4-amino-2-ethylhexan-1-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 4-amino-2-ethylhexan-1-ol is sourced from PubChem (CID 148917024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).