N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

C13H24N2O — CID 142350896

IUPACN-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILESCNCC1=C(N(C)CCOC)CCC(C)=C1
InChIInChI=1S/C13H24N2O/c1-11-5-6-13(12(9-11)10-14-2)15(3)7-8-16-4/h9,14H,5-8,10H2,1-4H3
InChIKeyKICNGQXWUXBAGY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds6

About N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 142350896) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
PubChem CID142350896
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILESCNCC1=C(N(C)CCOC)CCC(C)=C1
InChIInChI=1S/C13H24N2O/c1-11-5-6-13(12(9-11)10-14-2)15(3)7-8-16-4/h9,14H,5-8,10H2,1-4H3
InChIKeyKICNGQXWUXBAGY-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (CID 142350896) is N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is CNCC1=C(N(C)CCOC)CCC(C)=C1.
What is the InChIKey of N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is KICNGQXWUXBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-5-6-13(12(9-11)10-14-2)15(3)7-8-16-4/h9,14H,5-8,10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142350896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).