4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine

C15H31N3O — CID 114401357

IUPAC4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCCN1CCOC(CN2CCCNC(C)(CC)C2)C1
InChIInChI=1S/C15H31N3O/c1-4-15(3)13-18(8-6-7-16-15)12-14-11-17(5-2)9-10-19-14/h14,16H,4-13H2,1-3H3
InChIKeyOLOVZRVBWZONII-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds4

About 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine

4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine (PubChem CID 114401357) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine
PubChem CID114401357
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCCN1CCOC(CN2CCCNC(C)(CC)C2)C1
InChIInChI=1S/C15H31N3O/c1-4-15(3)13-18(8-6-7-16-15)12-14-11-17(5-2)9-10-19-14/h14,16H,4-13H2,1-3H3
InChIKeyOLOVZRVBWZONII-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]morpholine
CID 104975908
3-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]azetidin-3-amine
CID 79182409
[1-[(4-ethylmorpholin-2-yl)methyl]-4-methylpiperidin-4-yl]methanamine
CID 107160487
2,4-diethylmorpholine
CID 58988021
2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594775
1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 64944195
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
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
3-cyclopropyl-3-methyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64869910

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The IUPAC name of 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine (CID 114401357) is 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine.
What is the SMILES notation for 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The canonical SMILES for 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine is CCN1CCOC(CN2CCCNC(C)(CC)C2)C1.
What is the InChIKey of 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The InChIKey is OLOVZRVBWZONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-15(3)13-18(8-6-7-16-15)12-14-11-17(5-2)9-10-19-14/h14,16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine?
4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]morpholine is sourced from PubChem (CID 114401357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).