2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol

C12H25NO2 — CID 167472768

IUPAC2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol
SMILESC=COC(C)CC(C)(C)CC(C)(N)CO
InChIInChI=1S/C12H25NO2/c1-6-15-10(2)7-11(3,4)8-12(5,13)9-14/h6,10,14H,1,7-9,13H2,2-5H3
InChIKeyHCFNTIWPCMKZPE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.05
Rot. Bonds7

About 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol

2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol (PubChem CID 167472768) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol.

Molecular Properties

Compound Name2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol
PubChem CID167472768
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol
SMILESC=COC(C)CC(C)(C)CC(C)(N)CO
InChIInChI=1S/C12H25NO2/c1-6-15-10(2)7-11(3,4)8-12(5,13)9-14/h6,10,14H,1,7-9,13H2,2-5H3
InChIKeyHCFNTIWPCMKZPE-UHFFFAOYSA-N
XLogP2.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol?
The IUPAC name of 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol (CID 167472768) is 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol.
What is the SMILES notation for 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol?
The canonical SMILES for 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol is C=COC(C)CC(C)(C)CC(C)(N)CO.
What is the InChIKey of 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol?
The InChIKey is HCFNTIWPCMKZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-15-10(2)7-11(3,4)8-12(5,13)9-14/h6,10,14H,1,7-9,13H2,2-5H3.
What are the key properties of 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol?
2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethenoxy-2,4,4-trimethylheptan-1-ol is sourced from PubChem (CID 167472768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).