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

C12H25N3O — CID 82242594

IUPAC4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
SMILESCC1CNCCCN1CCN1CCOCC1
InChIInChI=1S/C12H25N3O/c1-12-11-13-3-2-4-15(12)6-5-14-7-9-16-10-8-14/h12-13H,2-11H2,1H3
InChIKeyXKHUQVXQYWFXQN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds3

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

4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine (PubChem CID 82242594) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
PubChem CID82242594
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
SMILESCC1CNCCCN1CCN1CCOCC1
InChIInChI=1S/C12H25N3O/c1-12-11-13-3-2-4-15(12)6-5-14-7-9-16-10-8-14/h12-13H,2-11H2,1H3
InChIKeyXKHUQVXQYWFXQN-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine (CID 82242594) is 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine is CC1CNCCCN1CCN1CCOCC1.
What is the InChIKey of 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine?
The InChIKey is XKHUQVXQYWFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12-11-13-3-2-4-15(12)6-5-14-7-9-16-10-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine?
4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine is sourced from PubChem (CID 82242594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).