4-[3-(1,4-diazepan-1-yl)propyl]morpholine

C12H25N3O — CID 2737525

IUPAC4-[3-(1,4-diazepan-1-yl)propyl]morpholine
SMILESC1CNCCN(CCCN2CCOCC2)C1
InChIInChI=1S/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2
InChIKeyQSSZXFOYGIGJBX-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds4

About 4-[3-(1,4-diazepan-1-yl)propyl]morpholine

4-[3-(1,4-diazepan-1-yl)propyl]morpholine (PubChem CID 2737525) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[3-(1,4-diazepan-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(1,4-diazepan-1-yl)propyl]morpholine
PubChem CID2737525
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[3-(1,4-diazepan-1-yl)propyl]morpholine
SMILESC1CNCCN(CCCN2CCOCC2)C1
InChIInChI=1S/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2
InChIKeyQSSZXFOYGIGJBX-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 4-[3-(1,4-diazepan-1-yl)propyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,4-diazepan-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(1,4-diazepan-1-yl)propyl]morpholine (CID 2737525) is 4-[3-(1,4-diazepan-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(1,4-diazepan-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(1,4-diazepan-1-yl)propyl]morpholine is C1CNCCN(CCCN2CCOCC2)C1.
What is the InChIKey of 4-[3-(1,4-diazepan-1-yl)propyl]morpholine?
The InChIKey is QSSZXFOYGIGJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2.
What are the key properties of 4-[3-(1,4-diazepan-1-yl)propyl]morpholine?
4-[3-(1,4-diazepan-1-yl)propyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-diazepan-1-yl)propyl]morpholine is sourced from PubChem (CID 2737525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).