(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol

C10H19NO — CID 170269203

IUPAC(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol
SMILESCN/C(C)=C(C)/C(O)=C\C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(12)8(3)9(4)11-5/h6-7,11-12H,1-5H3/b9-8+,10-6+
InChIKeyALUZDEVMTFIMAM-JSAGYHNASA-N
MW169.27 g/mol
LogP2.60
Rot. Bonds3

About (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol

(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol (PubChem CID 170269203) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol
PubChem CID170269203
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol
SMILESCN/C(C)=C(C)/C(O)=C\C(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(12)8(3)9(4)11-5/h6-7,11-12H,1-5H3/b9-8+,10-6+
InChIKeyALUZDEVMTFIMAM-JSAGYHNASA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.60
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 (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol?
The IUPAC name of (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol (CID 170269203) is (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol.
What is the SMILES notation for (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol?
The canonical SMILES for (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol is CN/C(C)=C(C)/C(O)=C\C(C)C.
What is the InChIKey of (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol?
The InChIKey is ALUZDEVMTFIMAM-JSAGYHNASA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-10(12)8(3)9(4)11-5/h6-7,11-12H,1-5H3/b9-8+,10-6+.
What are the key properties of (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol?
(2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3,6-dimethyl-2-(methylamino)hepta-2,4-dien-4-ol is sourced from PubChem (CID 170269203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).