N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine

C13H22N2O — CID 70863713

IUPACN-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCNCC1C=C(N2CCOCC2)C=CC1C
InChIInChI=1S/C13H22N2O/c1-11-3-4-13(9-12(11)10-14-2)15-5-7-16-8-6-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyXFTYYZUHFLGUPE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.24
Rot. Bonds3

About N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine

N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 70863713) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID70863713
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCNCC1C=C(N2CCOCC2)C=CC1C
InChIInChI=1S/C13H22N2O/c1-11-3-4-13(9-12(11)10-14-2)15-5-7-16-8-6-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyXFTYYZUHFLGUPE-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine (CID 70863713) is N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine is CNCC1C=C(N2CCOCC2)C=CC1C.
What is the InChIKey of N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is XFTYYZUHFLGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-4-13(9-12(11)10-14-2)15-5-7-16-8-6-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine?
N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 222.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 70863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).