2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine

C14H19N — CID 90918343

IUPAC2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine
SMILESNCC(C1=CC=CCC1)C1C=CC=CC1
InChIInChI=1S/C14H19N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-5,7,9,12,14H,6,8,10-11,15H2
InChIKeyOIENJHVAMNNPDV-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.97
Rot. Bonds3

About 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine

2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine (PubChem CID 90918343) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine
PubChem CID90918343
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine
SMILESNCC(C1=CC=CCC1)C1C=CC=CC1
InChIInChI=1S/C14H19N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-5,7,9,12,14H,6,8,10-11,15H2
InChIKeyOIENJHVAMNNPDV-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.97
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-yl-2-cyclohexa-2,4-dien-1-ylethanamine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine (CID 90918343) is 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine is NCC(C1=CC=CCC1)C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine?
The InChIKey is OIENJHVAMNNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-5,7,9,12,14H,6,8,10-11,15H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine?
2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine has a molecular weight of 201.31 g/mol, XLogP of 2.97, 3 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-yl-2-cyclohexa-2,4-dien-1-ylethanamine is sourced from PubChem (CID 90918343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).