3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

C19H37NO — CID 156682919

IUPAC3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILESCCCCC/C=C(/C)CC/C=C(/C)COCCCN(C)C
InChIInChI=1S/C19H37NO/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5/h12,14H,6-11,13,15-17H2,1-5H3/b18-12-,19-14-
InChIKeyZNEMACMLEMONAZ-QANBDDIOSA-N
MW295.51 g/mol
LogP5.21
Rot. Bonds13

About 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine

3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (PubChem CID 156682919) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
PubChem CID156682919
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine
SMILESCCCCC/C=C(/C)CC/C=C(/C)COCCCN(C)C
InChIInChI=1S/C19H37NO/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5/h12,14H,6-11,13,15-17H2,1-5H3/b18-12-,19-14-
InChIKeyZNEMACMLEMONAZ-QANBDDIOSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine (CID 156682919) is 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is CCCCC/C=C(/C)CC/C=C(/C)COCCCN(C)C.
What is the InChIKey of 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ZNEMACMLEMONAZ-QANBDDIOSA-N. The full InChI is InChI=1S/C19H37NO/c1-6-7-8-9-12-18(2)13-10-14-19(3)17-21-16-11-15-20(4)5/h12,14H,6-11,13,15-17H2,1-5H3/b18-12-,19-14-.
What are the key properties of 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine?
3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 5.21, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,6Z)-2,6-dimethyldodeca-2,6-dienoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 156682919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).