4-morpholin-4-ylcyclohexa-2,4-dien-1-amine

C10H16N2O — CID 89256480

IUPAC4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C10H16N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2
InChIKeyBHOAXEPUGXFFKT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.49
Rot. Bonds1

About 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine

4-morpholin-4-ylcyclohexa-2,4-dien-1-amine (PubChem CID 89256480) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
PubChem CID89256480
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C10H16N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2
InChIKeyBHOAXEPUGXFFKT-UHFFFAOYSA-N
XLogP0.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine (CID 89256480) is 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine is NC1C=CC(N2CCOCC2)=CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is BHOAXEPUGXFFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8,11H2.
What are the key properties of 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine?
4-morpholin-4-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89256480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).