(E)-8-amino-2,6-dimethyloct-6-en-2-ol

C10H21NO — CID 6365962

IUPAC(E)-8-amino-2,6-dimethyloct-6-en-2-ol
SMILESC/C(=C\CN)CCCC(C)(C)O
InChIInChI=1S/C10H21NO/c1-9(6-8-11)5-4-7-10(2,3)12/h6,12H,4-5,7-8,11H2,1-3H3/b9-6+
InChIKeyRJZZKFVNBRIPQD-RMKNXTFCSA-N
MW171.28 g/mol
LogP1.83
Rot. Bonds5

About (E)-8-amino-2,6-dimethyloct-6-en-2-ol

(E)-8-amino-2,6-dimethyloct-6-en-2-ol (PubChem CID 6365962) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-8-amino-2,6-dimethyloct-6-en-2-ol.

Molecular Properties

Compound Name(E)-8-amino-2,6-dimethyloct-6-en-2-ol
PubChem CID6365962
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-8-amino-2,6-dimethyloct-6-en-2-ol
SMILESC/C(=C\CN)CCCC(C)(C)O
InChIInChI=1S/C10H21NO/c1-9(6-8-11)5-4-7-10(2,3)12/h6,12H,4-5,7-8,11H2,1-3H3/b9-6+
InChIKeyRJZZKFVNBRIPQD-RMKNXTFCSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-amino-2,6-dimethyloct-6-en-2-ol?
The IUPAC name of (E)-8-amino-2,6-dimethyloct-6-en-2-ol (CID 6365962) is (E)-8-amino-2,6-dimethyloct-6-en-2-ol.
What is the SMILES notation for (E)-8-amino-2,6-dimethyloct-6-en-2-ol?
The canonical SMILES for (E)-8-amino-2,6-dimethyloct-6-en-2-ol is C/C(=C\CN)CCCC(C)(C)O.
What is the InChIKey of (E)-8-amino-2,6-dimethyloct-6-en-2-ol?
The InChIKey is RJZZKFVNBRIPQD-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(6-8-11)5-4-7-10(2,3)12/h6,12H,4-5,7-8,11H2,1-3H3/b9-6+.
What are the key properties of (E)-8-amino-2,6-dimethyloct-6-en-2-ol?
(E)-8-amino-2,6-dimethyloct-6-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-amino-2,6-dimethyloct-6-en-2-ol is sourced from PubChem (CID 6365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).