2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine

C10H19NO — CID 143173311

IUPAC2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine
SMILESCC/C=C/C=C/OCCN(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-9-12-10-8-11(2)3/h5-7,9H,4,8,10H2,1-3H3/b6-5+,9-7+
InChIKeyCMMZKSUMPCTDKT-SBIWHPGTSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds6

About 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine

2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine (PubChem CID 143173311) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine
PubChem CID143173311
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine
SMILESCC/C=C/C=C/OCCN(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-9-12-10-8-11(2)3/h5-7,9H,4,8,10H2,1-3H3/b6-5+,9-7+
InChIKeyCMMZKSUMPCTDKT-SBIWHPGTSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine (CID 143173311) is 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine is CC/C=C/C=C/OCCN(C)C.
What is the InChIKey of 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine?
The InChIKey is CMMZKSUMPCTDKT-SBIWHPGTSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-9-12-10-8-11(2)3/h5-7,9H,4,8,10H2,1-3H3/b6-5+,9-7+.
What are the key properties of 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine?
2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine has a molecular weight of 169.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-hexa-1,3-dienoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 143173311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).