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

C13H27N3O — CID 82243835

IUPAC4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
SMILESCC1(C)CN(CCN2CCOCC2)CCCN1
InChIInChI=1S/C13H27N3O/c1-13(2)12-16(5-3-4-14-13)7-6-15-8-10-17-11-9-15/h14H,3-12H2,1-2H3
InChIKeyDPTUOSGBZPEGGP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds3

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

4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine (PubChem CID 82243835) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
PubChem CID82243835
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
SMILESCC1(C)CN(CCN2CCOCC2)CCCN1
InChIInChI=1S/C13H27N3O/c1-13(2)12-16(5-3-4-14-13)7-6-15-8-10-17-11-9-15/h14H,3-12H2,1-2H3
InChIKeyDPTUOSGBZPEGGP-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64871665
1-(3,3-dimethylbutyl)-3,3-dimethyl-1,4-diazepane
CID 64871072
3,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943274
3,3-dimethyl-1-(3-methylbut-3-enyl)-1,4-diazepane
CID 130993760
3,3-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64869288
1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
CID 64943217
1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 64944195
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
3,3-dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-1,4-diazepane
CID 64944982
4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
CID 104595033
4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine (CID 82243835) is 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine is CC1(C)CN(CCN2CCOCC2)CCCN1.
What is the InChIKey of 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine?
The InChIKey is DPTUOSGBZPEGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2)12-16(5-3-4-14-13)7-6-15-8-10-17-11-9-15/h14H,3-12H2,1-2H3.
What are the key properties of 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine?
4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine is sourced from PubChem (CID 82243835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).