N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide

C10H16N2 — CID 123669417

IUPACN-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=CC(C)=CN/C=N/C=C(C)C
InChIInChI=1S/C10H16N2/c1-5-10(4)7-12-8-11-6-9(2)3/h5-8H,1H2,2-4H3,(H,11,12)
InChIKeyHXFMZBVVDDQZII-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.62
Rot. Bonds4

About N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide

N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide (PubChem CID 123669417) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide
PubChem CID123669417
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide
SMILESC=CC(C)=CN/C=N/C=C(C)C
InChIInChI=1S/C10H16N2/c1-5-10(4)7-12-8-11-6-9(2)3/h5-8H,1H2,2-4H3,(H,11,12)
InChIKeyHXFMZBVVDDQZII-UHFFFAOYSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.62
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'}, {'alert_name': 'polyene', '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'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
N-[(E)-but-1-enyl]-N'-methylmethanimidamide
CID 89294540
N'-(4-methylidenehexa-1,2-dienyl)methanimidamide
CID 89319907
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
CID 90370990
(7E)-5-methyl-1,6-dihydro-1,3-diazocine
CID 90740078
N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
CID 91474539
N'-methyl-N-[(E)-2-methylbut-1-enyl]methanimidamide
CID 117756155
N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide
CID 118617260
N'-[(E)-but-1-enyl]-N-ethenylmethanimidamide
CID 123239339

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide (CID 123669417) is N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide is C=CC(C)=CN/C=N/C=C(C)C.
What is the InChIKey of N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is HXFMZBVVDDQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10(4)7-12-8-11-6-9(2)3/h5-8H,1H2,2-4H3,(H,11,12).
What are the key properties of N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide?
N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 123669417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).