(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine

C11H20N2O — CID 143800491

IUPAC(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine
SMILESC1=CC([C@@H]2CNCCO2)=CCC1.CN
InChIInChI=1S/C10H15NO.CH5N/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;2H2,1H3/t10-;/m0./s1
InChIKeyGRMJMNTYSHYILL-PPHPATTJSA-N
MW196.29 g/mol
LogP0.83
Rot. Bonds1

About (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine

(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine (PubChem CID 143800491) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine.

Molecular Properties

Compound Name(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine
PubChem CID143800491
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine
SMILESC1=CC([C@@H]2CNCCO2)=CCC1.CN
InChIInChI=1S/C10H15NO.CH5N/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;2H2,1H3/t10-;/m0./s1
InChIKeyGRMJMNTYSHYILL-PPHPATTJSA-N
XLogP0.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 177151938
6-Cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
CID 178115857
2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 22475307
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
2-Hex-1-enylmorpholine
CID 68588543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine?
The IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine (CID 143800491) is (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine.
What is the SMILES notation for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine?
The canonical SMILES for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine is C1=CC([C@@H]2CNCCO2)=CCC1.CN.
What is the InChIKey of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine?
The InChIKey is GRMJMNTYSHYILL-PPHPATTJSA-N. The full InChI is InChI=1S/C10H15NO.CH5N/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;2H2,1H3/t10-;/m0./s1.
What are the key properties of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine?
(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine has a molecular weight of 196.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine is sourced from PubChem (CID 143800491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).