3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide

C10H18N4 — CID 176533884

IUPAC3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide
SMILES[H]/N=C(\N/C(C)=C\C=N\C)C(C)=C(C)N
InChIInChI=1S/C10H18N4/c1-7(5-6-13-4)14-10(12)8(2)9(3)11/h5-6H,11H2,1-4H3,(H2,12,14)/b7-5-,9-8?,13-6+
InChIKeyPIBONOUFTXTNNK-KXBVBUHZSA-N
MW194.28 g/mol
LogP1.41
Rot. Bonds3

About 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide

3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide (PubChem CID 176533884) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide
PubChem CID176533884
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide
SMILES[H]/N=C(\N/C(C)=C\C=N\C)C(C)=C(C)N
InChIInChI=1S/C10H18N4/c1-7(5-6-13-4)14-10(12)8(2)9(3)11/h5-6H,11H2,1-4H3,(H2,12,14)/b7-5-,9-8?,13-6+
InChIKeyPIBONOUFTXTNNK-KXBVBUHZSA-N
XLogP1.41
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide?
The IUPAC name of 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide (CID 176533884) is 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide?
The canonical SMILES for 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide is [H]/N=C(\N/C(C)=C\C=N\C)C(C)=C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide?
The InChIKey is PIBONOUFTXTNNK-KXBVBUHZSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(5-6-13-4)14-10(12)8(2)9(3)11/h5-6H,11H2,1-4H3,(H2,12,14)/b7-5-,9-8?,13-6+.
What are the key properties of 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide?
3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(Z)-4-methyliminobut-2-en-2-yl]but-2-enimidamide is sourced from PubChem (CID 176533884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).