4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine

C16H33N3O — CID 114401113

IUPAC4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
SMILESCCC1CCN(CC2CN(CC)CCO2)CC(C)CN1
InChIInChI=1S/C16H33N3O/c1-4-15-6-7-19(11-14(3)10-17-15)13-16-12-18(5-2)8-9-20-16/h14-17H,4-13H2,1-3H3
InChIKeyGERRLVKEHZYRDW-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds4

About 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine

4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine (PubChem CID 114401113) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
PubChem CID114401113
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine
SMILESCCC1CCN(CC2CN(CC)CCO2)CC(C)CN1
InChIInChI=1S/C16H33N3O/c1-4-15-6-7-19(11-14(3)10-17-15)13-16-12-18(5-2)8-9-20-16/h14-17H,4-13H2,1-3H3
InChIKeyGERRLVKEHZYRDW-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]morpholine
CID 104975908
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
CID 113476176
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
N-[[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 114400294
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
CID 102682618
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine?
The IUPAC name of 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine (CID 114401113) is 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine.
What is the SMILES notation for 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine?
The canonical SMILES for 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine is CCC1CCN(CC2CN(CC)CCO2)CC(C)CN1.
What is the InChIKey of 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine?
The InChIKey is GERRLVKEHZYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-15-6-7-19(11-14(3)10-17-15)13-16-12-18(5-2)8-9-20-16/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine?
4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(6-ethyl-3-methyl-1,5-diazocan-1-yl)methyl]morpholine is sourced from PubChem (CID 114401113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).