N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide

C6H12N4 — CID 176534960

IUPACN-but-1-en-2-yl-N'-carbamimidoylmethanimidamide
SMILES[H]/N=C(\N)N=CNC(=C)CC
InChIInChI=1S/C6H12N4/c1-3-5(2)9-4-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,9,10)
InChIKeyZSDQTTKRQSJXFF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.42
Rot. Bonds3

About N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide

N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide (PubChem CID 176534960) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N'-carbamimidoylmethanimidamide
PubChem CID176534960
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-but-1-en-2-yl-N'-carbamimidoylmethanimidamide
SMILES[H]/N=C(\N)N=CNC(=C)CC
InChIInChI=1S/C6H12N4/c1-3-5(2)9-4-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,9,10)
InChIKeyZSDQTTKRQSJXFF-UHFFFAOYSA-N
XLogP0.42
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide?
The IUPAC name of N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide (CID 176534960) is N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide.
What is the SMILES notation for N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide?
The canonical SMILES for N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide is [H]/N=C(\N)N=CNC(=C)CC.
What is the InChIKey of N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide?
The InChIKey is ZSDQTTKRQSJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5(2)9-4-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,9,10).
What are the key properties of N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide?
N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide has a molecular weight of 140.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N'-carbamimidoylmethanimidamide is sourced from PubChem (CID 176534960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).