N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide

C8H16N4 — CID 156800699

IUPACN-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide
SMILES[H]/N=C/N(C(C)=C(C)C)/C(N)=N/C
InChIInChI=1S/C8H16N4/c1-6(2)7(3)12(5-9)8(10)11-4/h5,9H,1-4H3,(H2,10,11)/b9-5+
InChIKeyNYDIJFYQHGZNIM-WEVVVXLNSA-N
MW168.24 g/mol
LogP1.15
Rot. Bonds2

About N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide

N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide (PubChem CID 156800699) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide.

Molecular Properties

Compound NameN-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide
PubChem CID156800699
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide
SMILES[H]/N=C/N(C(C)=C(C)C)/C(N)=N/C
InChIInChI=1S/C8H16N4/c1-6(2)7(3)12(5-9)8(10)11-4/h5,9H,1-4H3,(H2,10,11)/b9-5+
InChIKeyNYDIJFYQHGZNIM-WEVVVXLNSA-N
XLogP1.15
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N'-dimethyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 143160390

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide?
The IUPAC name of N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide (CID 156800699) is N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide.
What is the SMILES notation for N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide?
The canonical SMILES for N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide is [H]/N=C/N(C(C)=C(C)C)/C(N)=N/C.
What is the InChIKey of N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide?
The InChIKey is NYDIJFYQHGZNIM-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)7(3)12(5-9)8(10)11-4/h5,9H,1-4H3,(H2,10,11)/b9-5+.
What are the key properties of N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide?
N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide has a molecular weight of 168.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-en-2-yl)-N-(N'-methylcarbamimidoyl)methanimidamide is sourced from PubChem (CID 156800699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).