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

C13H27N3O — CID 62832586

IUPAC4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCN1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-13(2)12-17-11-10-16(13)9-8-15-6-3-4-14-5-7-15/h14H,3-12H2,1-2H3
InChIKeyPYQUXDMEASTAPX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds3

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

4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine (PubChem CID 62832586) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine
PubChem CID62832586
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1CCN1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-13(2)12-17-11-10-16(13)9-8-15-6-3-4-14-5-7-15/h14H,3-12H2,1-2H3
InChIKeyPYQUXDMEASTAPX-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine (CID 62832586) is 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine is CC1(C)COCCN1CCN1CCCNCC1.
What is the InChIKey of 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine?
The InChIKey is PYQUXDMEASTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2)12-17-11-10-16(13)9-8-15-6-3-4-14-5-7-15/h14H,3-12H2,1-2H3.
What are the key properties of 4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine?
4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine 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-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 62832586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).