2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea

C9H20N4O — CID 83109694

IUPAC2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea
SMILESCC1CC(NCCNC(N)=O)CN1C
InChIInChI=1S/C9H20N4O/c1-7-5-8(6-13(7)2)11-3-4-12-9(10)14/h7-8,11H,3-6H2,1-2H3,(H3,10,12,14)
InChIKeyJMXHCGHLVWXQTA-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.66
Rot. Bonds4

About 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea

2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea (PubChem CID 83109694) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea
PubChem CID83109694
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea
SMILESCC1CC(NCCNC(N)=O)CN1C
InChIInChI=1S/C9H20N4O/c1-7-5-8(6-13(7)2)11-3-4-12-9(10)14/h7-8,11H,3-6H2,1-2H3,(H3,10,12,14)
InChIKeyJMXHCGHLVWXQTA-UHFFFAOYSA-N
XLogP-0.66
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.66
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 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea?
The IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea (CID 83109694) is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea.
What is the SMILES notation for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea?
The canonical SMILES for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea is CC1CC(NCCNC(N)=O)CN1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea?
The InChIKey is JMXHCGHLVWXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7-5-8(6-13(7)2)11-3-4-12-9(10)14/h7-8,11H,3-6H2,1-2H3,(H3,10,12,14).
What are the key properties of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea?
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea has a molecular weight of 200.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylurea is sourced from PubChem (CID 83109694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).