N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide

C8H14N2 — CID 123240778

IUPACN-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide
SMILESC=CN/C=N/C=C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(3)6-10-7-9-5-2/h5-7H,2,4H2,1,3H3,(H,9,10)
InChIKeyVFEQGQCIZDNWQY-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds4

About N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide

N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide (PubChem CID 123240778) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide
PubChem CID123240778
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide
SMILESC=CN/C=N/C=C(C)CC
InChIInChI=1S/C8H14N2/c1-4-8(3)6-10-7-9-5-2/h5-7H,2,4H2,1,3H3,(H,9,10)
InChIKeyVFEQGQCIZDNWQY-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
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

N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
CID 142309219
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
1-(2-methylprop-1-enyl)-1H-imidazol-1-ium chloride
CID 87917892
N-[(E)-but-1-enyl]-N'-methylmethanimidamide
CID 89294540
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
CID 90370990
But-1-enyl-methyl-(methylaminomethylidene)azanium
CID 90686235
(7E)-5-methyl-1,6-dihydro-1,3-diazocine
CID 90740078
4,5-dihydro-1H-1,3-diazepine
CID 90872392

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide?
The IUPAC name of N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide (CID 123240778) is N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide.
What is the SMILES notation for N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide?
The canonical SMILES for N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide is C=CN/C=N/C=C(C)CC.
What is the InChIKey of N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide?
The InChIKey is VFEQGQCIZDNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(3)6-10-7-9-5-2/h5-7H,2,4H2,1,3H3,(H,9,10).
What are the key properties of N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide?
N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide is sourced from PubChem (CID 123240778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).