N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine

C14H24N2O — CID 70333386

IUPACN-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
SMILESCCNC1=C(CCN2CCOCC2)C=CCC1
InChIInChI=1S/C14H24N2O/c1-2-15-14-6-4-3-5-13(14)7-8-16-9-11-17-12-10-16/h3,5,15H,2,4,6-12H2,1H3
InChIKeyAISPHSWFLSJVGA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds5

About N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine

N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 70333386) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
PubChem CID70333386
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
SMILESCCNC1=C(CCN2CCOCC2)C=CCC1
InChIInChI=1S/C14H24N2O/c1-2-15-14-6-4-3-5-13(14)7-8-16-9-11-17-12-10-16/h3,5,15H,2,4,6-12H2,1H3
InChIKeyAISPHSWFLSJVGA-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine (CID 70333386) is N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine is CCNC1=C(CCN2CCOCC2)C=CCC1.
What is the InChIKey of N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is AISPHSWFLSJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-15-14-6-4-3-5-13(14)7-8-16-9-11-17-12-10-16/h3,5,15H,2,4,6-12H2,1H3.
What are the key properties of N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine?
N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70333386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).