1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea

C9H21N3O2 — CID 22381438

IUPAC1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea
SMILESCNCCCOCCCNC(=O)NC
InChIInChI=1S/C9H21N3O2/c1-10-5-3-7-14-8-4-6-12-9(13)11-2/h10H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyLBHDBOKYUCYVGS-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.07
Rot. Bonds8

About 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea

1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea (PubChem CID 22381438) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea
PubChem CID22381438
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea
SMILESCNCCCOCCCNC(=O)NC
InChIInChI=1S/C9H21N3O2/c1-10-5-3-7-14-8-4-6-12-9(13)11-2/h10H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyLBHDBOKYUCYVGS-UHFFFAOYSA-N
XLogP-0.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The IUPAC name of 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea (CID 22381438) is 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea.
What is the SMILES notation for 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The canonical SMILES for 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea is CNCCCOCCCNC(=O)NC.
What is the InChIKey of 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The InChIKey is LBHDBOKYUCYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-10-5-3-7-14-8-4-6-12-9(13)11-2/h10H,3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea has a molecular weight of 203.29 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[3-(methylamino)propoxy]propyl]urea is sourced from PubChem (CID 22381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).