5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine

C11H18N2O — CID 19754038

IUPAC5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
SMILESCC1(N2CCOCC2)C=CC=C(N)C1
InChIInChI=1S/C11H18N2O/c1-11(4-2-3-10(12)9-11)13-5-7-14-8-6-13/h2-4H,5-9,12H2,1H3
InChIKeyYWMXEGDCSHJTJW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.88
Rot. Bonds1

About 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine

5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine (PubChem CID 19754038) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
PubChem CID19754038
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
SMILESCC1(N2CCOCC2)C=CC=C(N)C1
InChIInChI=1S/C11H18N2O/c1-11(4-2-3-10(12)9-11)13-5-7-14-8-6-13/h2-4H,5-9,12H2,1H3
InChIKeyYWMXEGDCSHJTJW-UHFFFAOYSA-N
XLogP0.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine (CID 19754038) is 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine is CC1(N2CCOCC2)C=CC=C(N)C1.
What is the InChIKey of 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is YWMXEGDCSHJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(4-2-3-10(12)9-11)13-5-7-14-8-6-13/h2-4H,5-9,12H2,1H3.
What are the key properties of 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine?
5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 19754038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).