(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol

C11H19NO — CID 126755582

IUPAC(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
SMILESC=C(/C(O)=C\C(N)=C/C)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(12)7-10(13)8(2)11(3,4)5/h6-7,13H,2,12H2,1,3-5H3/b9-6+,10-7+
InChIKeyWWKJTLIWDZEITC-KZZDLZNXSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds2

About (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol

(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol (PubChem CID 126755582) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol.

Molecular Properties

Compound Name(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
PubChem CID126755582
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol
SMILESC=C(/C(O)=C\C(N)=C/C)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(12)7-10(13)8(2)11(3,4)5/h6-7,13H,2,12H2,1,3-5H3/b9-6+,10-7+
InChIKeyWWKJTLIWDZEITC-KZZDLZNXSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol?
The IUPAC name of (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol (CID 126755582) is (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol.
What is the SMILES notation for (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol?
The canonical SMILES for (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol is C=C(/C(O)=C\C(N)=C/C)C(C)(C)C.
What is the InChIKey of (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol?
The InChIKey is WWKJTLIWDZEITC-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-9(12)7-10(13)8(2)11(3,4)5/h6-7,13H,2,12H2,1,3-5H3/b9-6+,10-7+.
What are the key properties of (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol?
(4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol has a molecular weight of 181.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-6-amino-2,2-dimethyl-3-methylideneocta-4,6-dien-4-ol is sourced from PubChem (CID 126755582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).