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

C12H15N — CID 15267070

IUPACN-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2C=CC=CC2)C=C1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-7,9,11-13H,8,10H2
InChIKeyRTADATDITIVRSU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.35
Rot. Bonds2

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

N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine (PubChem CID 15267070) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine
PubChem CID15267070
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine
SMILESC1=CCC(NC2C=CC=CC2)C=C1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-7,9,11-13H,8,10H2
InChIKeyRTADATDITIVRSU-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine (CID 15267070) is N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine is C1=CCC(NC2C=CC=CC2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is RTADATDITIVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-7,9,11-13H,8,10H2.
What are the key properties of N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine?
N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 15267070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).