N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide

C8H16N4 — CID 146439180

IUPACN-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide
SMILESC=N/N=C\N(C)NC/C(C)=C/C
InChIInChI=1S/C8H16N4/c1-5-8(2)6-11-12(4)7-10-9-3/h5,7,11H,3,6H2,1-2,4H3/b8-5+,10-7-
InChIKeyKUDRLYGPRBNYDT-HAMFBJRISA-N
MW168.24 g/mol
LogP1.03
Rot. Bonds5

About N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide

N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide (PubChem CID 146439180) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide
PubChem CID146439180
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide
SMILESC=N/N=C\N(C)NC/C(C)=C/C
InChIInChI=1S/C8H16N4/c1-5-8(2)6-11-12(4)7-10-9-3/h5,7,11H,3,6H2,1-2,4H3/b8-5+,10-7-
InChIKeyKUDRLYGPRBNYDT-HAMFBJRISA-N
XLogP1.03
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide?
The IUPAC name of N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide (CID 146439180) is N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide.
What is the SMILES notation for N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide?
The canonical SMILES for N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide is C=N/N=C\N(C)NC/C(C)=C/C.
What is the InChIKey of N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide?
The InChIKey is KUDRLYGPRBNYDT-HAMFBJRISA-N. The full InChI is InChI=1S/C8H16N4/c1-5-8(2)6-11-12(4)7-10-9-3/h5,7,11H,3,6H2,1-2,4H3/b8-5+,10-7-.
What are the key properties of N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide?
N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide has a molecular weight of 168.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide is sourced from PubChem (CID 146439180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).