N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine

C12H15N — CID 162410853

IUPACN-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine
SMILESC1=CC(NC2=CCCC=C2)=CCC1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7-10,13H,1-2,4,6H2
InChIKeyJCYGIQNVBLDRBA-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.04
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine

N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 162410853) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID162410853
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine
SMILESC1=CC(NC2=CCCC=C2)=CCC1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7-10,13H,1-2,4,6H2
InChIKeyJCYGIQNVBLDRBA-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine (CID 162410853) is N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine is C1=CC(NC2=CCCC=C2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is JCYGIQNVBLDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5,7-10,13H,1-2,4,6H2.
What are the key properties of N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine?
N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 162410853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).