5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine

C16H23N — CID 143714562

IUPAC5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CC=CC(C2=CC(N(C)C)=CCC2)C1
InChIInChI=1S/C16H23N/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(2)3/h5,7-8,10,12,14H,4,6,9,11H2,1-3H3
InChIKeyFNIRKHBKQBLMQE-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.06
Rot. Bonds3

About 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine

5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 143714562) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID143714562
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CC=CC(C2=CC(N(C)C)=CCC2)C1
InChIInChI=1S/C16H23N/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(2)3/h5,7-8,10,12,14H,4,6,9,11H2,1-3H3
InChIKeyFNIRKHBKQBLMQE-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 143714562) is 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine is CCC1=CC=CC(C2=CC(N(C)C)=CCC2)C1.
What is the InChIKey of 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is FNIRKHBKQBLMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(2)3/h5,7-8,10,12,14H,4,6,9,11H2,1-3H3.
What are the key properties of 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine?
5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143714562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).