4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine

C16H23N — CID 69079902

IUPAC4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1C=CC(C2=CCCC=C2)=CC1
InChIInChI=1S/C16H23N/c1-3-17(4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h6,8-12,16H,3-5,7,13H2,1-2H3
InChIKeyAMIAMNCJPGNSRQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.86
Rot. Bonds4

About 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine

4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine (PubChem CID 69079902) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine
PubChem CID69079902
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1C=CC(C2=CCCC=C2)=CC1
InChIInChI=1S/C16H23N/c1-3-17(4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h6,8-12,16H,3-5,7,13H2,1-2H3
InChIKeyAMIAMNCJPGNSRQ-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine (CID 69079902) is 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine is CCN(CC)C1C=CC(C2=CCCC=C2)=CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine?
The InChIKey is AMIAMNCJPGNSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-17(4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h6,8-12,16H,3-5,7,13H2,1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine?
4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N,N-diethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69079902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).