1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea

C10H21N3O2 — CID 3534691

IUPAC1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea
SMILESCN(C)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-12(2)10(14)11-4-3-5-13-6-8-15-9-7-13/h3-9H2,1-2H3,(H,11,14)
InChIKeyXGPTUYLAXUFSLI-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.02
Rot. Bonds4

About 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea

1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 3534691) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea
PubChem CID3534691
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea
SMILESCN(C)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-12(2)10(14)11-4-3-5-13-6-8-15-9-7-13/h3-9H2,1-2H3,(H,11,14)
InChIKeyXGPTUYLAXUFSLI-UHFFFAOYSA-N
XLogP-0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea (CID 3534691) is 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea is CN(C)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is XGPTUYLAXUFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12(2)10(14)11-4-3-5-13-6-8-15-9-7-13/h3-9H2,1-2H3,(H,11,14).
What are the key properties of 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea?
1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 215.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 3534691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).