4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine

C14H24N2O — CID 70974503

IUPAC4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCCC1(CC)CN(C2=CCC(N)C=C2)CCO1
InChIInChI=1S/C14H24N2O/c1-3-14(4-2)11-16(9-10-17-14)13-7-5-12(15)6-8-13/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3
InChIKeyGHHWQTCTHHBCJM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds3

About 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine

4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 70974503) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
PubChem CID70974503
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCCC1(CC)CN(C2=CCC(N)C=C2)CCO1
InChIInChI=1S/C14H24N2O/c1-3-14(4-2)11-16(9-10-17-14)13-7-5-12(15)6-8-13/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3
InChIKeyGHHWQTCTHHBCJM-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine (CID 70974503) is 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine is CCC1(CC)CN(C2=CCC(N)C=C2)CCO1.
What is the InChIKey of 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is GHHWQTCTHHBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-14(4-2)11-16(9-10-17-14)13-7-5-12(15)6-8-13/h5,7-8,12H,3-4,6,9-11,15H2,1-2H3.
What are the key properties of 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine?
4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70974503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).