(2R)-2-amino-2-ethylhexan-1-ol

C8H19NO — CID 15406632

IUPAC(2R)-2-amino-2-ethylhexan-1-ol
SMILESCCCC[C@](N)(CC)CO
InChIInChI=1S/C8H19NO/c1-3-5-6-8(9,4-2)7-10/h10H,3-7,9H2,1-2H3/t8-/m1/s1
InChIKeyAQVAKYWHEGYKEE-MRVPVSSYSA-N
MW145.25 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-amino-2-ethylhexan-1-ol

(2R)-2-amino-2-ethylhexan-1-ol (PubChem CID 15406632) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2R)-2-amino-2-ethylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-ethylhexan-1-ol
PubChem CID15406632
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2R)-2-amino-2-ethylhexan-1-ol
SMILESCCCC[C@](N)(CC)CO
InChIInChI=1S/C8H19NO/c1-3-5-6-8(9,4-2)7-10/h10H,3-7,9H2,1-2H3/t8-/m1/s1
InChIKeyAQVAKYWHEGYKEE-MRVPVSSYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-ethylhexan-1-ol?
The IUPAC name of (2R)-2-amino-2-ethylhexan-1-ol (CID 15406632) is (2R)-2-amino-2-ethylhexan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-ethylhexan-1-ol?
The canonical SMILES for (2R)-2-amino-2-ethylhexan-1-ol is CCCC[C@](N)(CC)CO.
What is the InChIKey of (2R)-2-amino-2-ethylhexan-1-ol?
The InChIKey is AQVAKYWHEGYKEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-6-8(9,4-2)7-10/h10H,3-7,9H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-ethylhexan-1-ol?
(2R)-2-amino-2-ethylhexan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-ethylhexan-1-ol is sourced from PubChem (CID 15406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).