(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol

C8H15NO — CID 170229761

IUPAC(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol
SMILESC=C/C=C(\C)C(C)(N)CO
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(3,9)6-10/h4-5,10H,1,6,9H2,2-3H3/b7-5+
InChIKeyBDFWICKMPIGCOU-FNORWQNLSA-N
MW141.21 g/mol
LogP0.83
Rot. Bonds3

About (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol

(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol (PubChem CID 170229761) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol
PubChem CID170229761
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol
SMILESC=C/C=C(\C)C(C)(N)CO
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(3,9)6-10/h4-5,10H,1,6,9H2,2-3H3/b7-5+
InChIKeyBDFWICKMPIGCOU-FNORWQNLSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol?
The IUPAC name of (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol (CID 170229761) is (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol is C=C/C=C(\C)C(C)(N)CO.
What is the InChIKey of (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol?
The InChIKey is BDFWICKMPIGCOU-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(2)8(3,9)6-10/h4-5,10H,1,6,9H2,2-3H3/b7-5+.
What are the key properties of (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol?
(3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-amino-2,3-dimethylhexa-3,5-dien-1-ol is sourced from PubChem (CID 170229761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).