4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine

C14H21N — CID 70502674

IUPAC4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine
SMILESNC1CCC(C23C=CC(=CC2)CC3)CC1
InChIInChI=1S/C14H21N/c15-13-3-1-12(2-4-13)14-8-5-11(6-9-14)7-10-14/h5-6,8,12-13H,1-4,7,9-10,15H2
InChIKeyPHJNLNLEFNAAPO-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.17
Rot. Bonds1

About 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine

4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine (PubChem CID 70502674) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine
PubChem CID70502674
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine
SMILESNC1CCC(C23C=CC(=CC2)CC3)CC1
InChIInChI=1S/C14H21N/c15-13-3-1-12(2-4-13)14-8-5-11(6-9-14)7-10-14/h5-6,8,12-13H,1-4,7,9-10,15H2
InChIKeyPHJNLNLEFNAAPO-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine?
The IUPAC name of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine (CID 70502674) is 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine?
The canonical SMILES for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine is NC1CCC(C23C=CC(=CC2)CC3)CC1.
What is the InChIKey of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine?
The InChIKey is PHJNLNLEFNAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c15-13-3-1-12(2-4-13)14-8-5-11(6-9-14)7-10-14/h5-6,8,12-13H,1-4,7,9-10,15H2.
What are the key properties of 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine?
4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.2]octa-2,4-dienyl)cyclohexan-1-amine is sourced from PubChem (CID 70502674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).