1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea

C11H22N4O2 — CID 79161293

IUPAC1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
SMILESCCN(CC)C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C11H22N4O2/c1-3-15(4-2)10(16)13-11(9(12)14-17)7-5-6-8-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyCMZMSHRPJXYTKY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.10
Rot. Bonds4

About 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea

1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea (PubChem CID 79161293) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
PubChem CID79161293
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
SMILESCCN(CC)C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C11H22N4O2/c1-3-15(4-2)10(16)13-11(9(12)14-17)7-5-6-8-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyCMZMSHRPJXYTKY-UHFFFAOYSA-N
XLogP1.10
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea (CID 79161293) is 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea is CCN(CC)C(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea?
The InChIKey is CMZMSHRPJXYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-15(4-2)10(16)13-11(9(12)14-17)7-5-6-8-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea?
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea has a molecular weight of 242.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea is sourced from PubChem (CID 79161293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).