5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine

C12H15NO — CID 89073798

IUPAC5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC(OC2=CCCC=C2)=C1
InChIInChI=1S/C12H15NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,5-7,9H,1,3-4,8,13H2
InChIKeyAUFYMKZFOACTNW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds2

About 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine

5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine (PubChem CID 89073798) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine
PubChem CID89073798
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine
SMILESNC1=CCCC(OC2=CCCC=C2)=C1
InChIInChI=1S/C12H15NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,5-7,9H,1,3-4,8,13H2
InChIKeyAUFYMKZFOACTNW-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine (CID 89073798) is 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine is NC1=CCCC(OC2=CCCC=C2)=C1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine?
The InChIKey is AUFYMKZFOACTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,5-7,9H,1,3-4,8,13H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine?
5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yloxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89073798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).