3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine

C15H27NO — CID 168786112

IUPAC3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)=C/C=C\C(OCCCN(C)C)=C(C)C
InChIInChI=1S/C15H27NO/c1-13(2)9-7-10-15(14(3)4)17-12-8-11-16(5)6/h7,9-10H,8,11-12H2,1-6H3/b10-7-
InChIKeyVSVMIOXDIYQWPZ-YFHOEESVSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds7

About 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine

3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 168786112) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID168786112
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCC(C)=C/C=C\C(OCCCN(C)C)=C(C)C
InChIInChI=1S/C15H27NO/c1-13(2)9-7-10-15(14(3)4)17-12-8-11-16(5)6/h7,9-10H,8,11-12H2,1-6H3/b10-7-
InChIKeyVSVMIOXDIYQWPZ-YFHOEESVSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
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 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 168786112) is 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine is CC(C)=C/C=C\C(OCCCN(C)C)=C(C)C.
What is the InChIKey of 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is VSVMIOXDIYQWPZ-YFHOEESVSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)9-7-10-15(14(3)4)17-12-8-11-16(5)6/h7,9-10H,8,11-12H2,1-6H3/b10-7-.
What are the key properties of 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-2,7-dimethylocta-2,4,6-trien-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 168786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).