(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane

C8H18N4O — CID 144947093

IUPAC(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane
SMILESCC.NC(=O)/N=C(\N)N1CCCC1
InChIInChI=1S/C6H12N4O.C2H6/c7-5(9-6(8)11)10-3-1-2-4-10;1-2/h1-4H2,(H4,7,8,9,11);1-2H3
InChIKeyVCTPNFQNTSQNNN-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.50
Rot. Bonds

About (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane

(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane (PubChem CID 144947093) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane.

Molecular Properties

Compound Name(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane
PubChem CID144947093
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane
SMILESCC.NC(=O)/N=C(\N)N1CCCC1
InChIInChI=1S/C6H12N4O.C2H6/c7-5(9-6(8)11)10-3-1-2-4-10;1-2/h1-4H2,(H4,7,8,9,11);1-2H3
InChIKeyVCTPNFQNTSQNNN-UHFFFAOYSA-N
XLogP0.50
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;pyrrolidine-1-carboxamide
CID 144643607
ethane;piperidine-1-carboxamide
CID 176963561
N'-methylazocane-1-carboximidamide
CID 62359325
methanethiol;pyrrolidine-1-carboxamide
CID 155736349
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
N'-tert-butylazocane-1-carboximidamide
CID 62361042
2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide
CID 144617560
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
N'-aminoazetidine-1-carboximidamide
CID 77052778
lithium;hydride;pyrrolidine-1-carboxamide
CID 173065228

Frequently Asked Questions

What is the IUPAC name of (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane?
The IUPAC name of (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane (CID 144947093) is (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane.
What is the SMILES notation for (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane?
The canonical SMILES for (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane is CC.NC(=O)/N=C(\N)N1CCCC1.
What is the InChIKey of (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane?
The InChIKey is VCTPNFQNTSQNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O.C2H6/c7-5(9-6(8)11)10-3-1-2-4-10;1-2/h1-4H2,(H4,7,8,9,11);1-2H3.
What are the key properties of (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane?
(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane has a molecular weight of 186.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane is sourced from PubChem (CID 144947093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).