(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine

C13H20N2O — CID 134291689

IUPAC(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
SMILESC=C1C=C([C@H](CN)N2CCOCC2)C=CC1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-14)15-5-7-16-8-6-15/h2,4,9,13H,1,3,5-8,10,14H2/t13-/m0/s1
InChIKeyJGGUOISZNKFCAV-ZDUSSCGKSA-N
MW220.32 g/mol
LogP1.09
Rot. Bonds3

About (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine

(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine (PubChem CID 134291689) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
PubChem CID134291689
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
SMILESC=C1C=C([C@H](CN)N2CCOCC2)C=CC1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-14)15-5-7-16-8-6-15/h2,4,9,13H,1,3,5-8,10,14H2/t13-/m0/s1
InChIKeyJGGUOISZNKFCAV-ZDUSSCGKSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine (CID 134291689) is (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine is C=C1C=C([C@H](CN)N2CCOCC2)C=CC1.
What is the InChIKey of (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine?
The InChIKey is JGGUOISZNKFCAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-14)15-5-7-16-8-6-15/h2,4,9,13H,1,3,5-8,10,14H2/t13-/m0/s1.
What are the key properties of (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine?
(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 134291689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).