2-morpholin-4-ylcyclohexa-1,3-dien-1-amine

C10H16N2O — CID 143791062

IUPAC2-morpholin-4-ylcyclohexa-1,3-dien-1-amine
SMILESNC1=C(N2CCOCC2)C=CCC1
InChIInChI=1S/C10H16N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h2,4H,1,3,5-8,11H2
InChIKeyQUHNZAOFOSAFOO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.84
Rot. Bonds1

About 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine

2-morpholin-4-ylcyclohexa-1,3-dien-1-amine (PubChem CID 143791062) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-morpholin-4-ylcyclohexa-1,3-dien-1-amine
PubChem CID143791062
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-morpholin-4-ylcyclohexa-1,3-dien-1-amine
SMILESNC1=C(N2CCOCC2)C=CCC1
InChIInChI=1S/C10H16N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h2,4H,1,3,5-8,11H2
InChIKeyQUHNZAOFOSAFOO-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine (CID 143791062) is 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine is NC1=C(N2CCOCC2)C=CCC1.
What is the InChIKey of 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is QUHNZAOFOSAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h2,4H,1,3,5-8,11H2.
What are the key properties of 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
2-morpholin-4-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143791062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).