6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine

C16H29NO — CID 173333590

IUPAC6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOC1=CCCC=C1
InChIInChI=1S/C16H29NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h8,12-13H,3-7,9-11,14-15H2,1-2H3
InChIKeyYAWOAJSGMOKGJY-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.14
Rot. Bonds10

About 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine

6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine (PubChem CID 173333590) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine
PubChem CID173333590
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOC1=CCCC=C1
InChIInChI=1S/C16H29NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h8,12-13H,3-7,9-11,14-15H2,1-2H3
InChIKeyYAWOAJSGMOKGJY-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine (CID 173333590) is 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine is CCN(CC)CCCCCCOC1=CCCC=C1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine?
The InChIKey is YAWOAJSGMOKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17(4-2)14-10-5-6-11-15-18-16-12-8-7-9-13-16/h8,12-13H,3-7,9-11,14-15H2,1-2H3.
What are the key properties of 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine?
6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yloxy-N,N-diethylhexan-1-amine is sourced from PubChem (CID 173333590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).