4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine

C12H15N — CID 89153783

IUPAC4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(C2=CC=CCC2)C=C1
InChIInChI=1S/C12H15N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-2,4,6,8-9,11H,3,5,7,13H2
InChIKeyDRZGBOLAODMATN-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.68
Rot. Bonds1

About 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine

4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 89153783) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID89153783
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(C2=CC=CCC2)C=C1
InChIInChI=1S/C12H15N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-2,4,6,8-9,11H,3,5,7,13H2
InChIKeyDRZGBOLAODMATN-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine (CID 89153783) is 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine is NC1=CCC(C2=CC=CCC2)C=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is DRZGBOLAODMATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-2,4,6,8-9,11H,3,5,7,13H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine?
4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89153783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).