(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea

C10H20N4O — CID 118455560

IUPAC(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
SMILESCCCC/N=C(\NC(N)=O)N1CCCC1
InChIInChI=1S/C10H20N4O/c1-2-3-6-12-10(13-9(11)15)14-7-4-5-8-14/h2-8H2,1H3,(H3,11,12,13,15)
InChIKeyGNOHJPQDHHKNPG-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.91
Rot. Bonds3

About (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea

(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea (PubChem CID 118455560) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea.

Molecular Properties

Compound Name(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
PubChem CID118455560
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
SMILESCCCC/N=C(\NC(N)=O)N1CCCC1
InChIInChI=1S/C10H20N4O/c1-2-3-6-12-10(13-9(11)15)14-7-4-5-8-14/h2-8H2,1H3,(H3,11,12,13,15)
InChIKeyGNOHJPQDHHKNPG-UHFFFAOYSA-N
XLogP0.91
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(N'-butylcarbamimidoyl)urea
CID 10975769
(N'-hexylcarbamimidoyl)urea
CID 87601330
ethyl 4-(N'-butyl-N-ethylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163768
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
methyl 1-(N'-butyl-N-ethylcarbamimidoyl)piperidine-4-carboxylate
CID 111251969
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
N-cyano-N'-[12-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]dodecyl]pyrrolidine-1-carboximidamide
CID 86580340
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
CID 104886722

Frequently Asked Questions

What is the IUPAC name of (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea?
The IUPAC name of (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea (CID 118455560) is (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea.
What is the SMILES notation for (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea?
The canonical SMILES for (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea is CCCC/N=C(\NC(N)=O)N1CCCC1.
What is the InChIKey of (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea?
The InChIKey is GNOHJPQDHHKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-3-6-12-10(13-9(11)15)14-7-4-5-8-14/h2-8H2,1H3,(H3,11,12,13,15).
What are the key properties of (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea?
(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea has a molecular weight of 212.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea is sourced from PubChem (CID 118455560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).