2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine

C12H15N — CID 135218026

IUPAC2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
SMILESNC1CC=CC=C1C1=CC=CCC1
InChIInChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-2,4-6,8,12H,3,7,9,13H2
InChIKeyZXPGVGMRNJEFND-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.48
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine

2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine (PubChem CID 135218026) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
PubChem CID135218026
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
SMILESNC1CC=CC=C1C1=CC=CCC1
InChIInChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-2,4-6,8,12H,3,7,9,13H2
InChIKeyZXPGVGMRNJEFND-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine (CID 135218026) is 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine is NC1CC=CC=C1C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZXPGVGMRNJEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-2,4-6,8,12H,3,7,9,13H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine?
2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 135218026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).