N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide

C7H14N2 — CID 135219650

IUPACN'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)4-9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4+
InChIKeyQDBFHFNECZRXSA-QPJJXVBHSA-N
MW126.20 g/mol
LogP1.53
Rot. Bonds2

About N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide

N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide (PubChem CID 135219650) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide
PubChem CID135219650
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)4-9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4+
InChIKeyQDBFHFNECZRXSA-QPJJXVBHSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.53
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'-[(E)-2-(trifluoromethyl)but-1-enyl]methanimidamide
CID 142488378
5-Propan-2-yl-1,4-dihydropyrimidine
CID 57122773
N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide
CID 89140159
N'-(4-methylidenehexa-1,2-dienyl)methanimidamide
CID 89319907
N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide
CID 89335540
N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 89390396
N-(aminomethylidene)-N'-(2-methylprop-1-enyl)methanimidamide
CID 89585196
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N'-[(E)-4-amino-3-methylbut-3-en-2-yl]methanimidamide
CID 90453473
N'-[(1Z)-2-ethylbuta-1,3-dienyl]methanimidamide
CID 91474539
N'-methyl-N-[(E)-2-methylbut-1-enyl]methanimidamide
CID 117756155

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide (CID 135219650) is N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide is C/C(=C\N=C\N)C(C)C.
What is the InChIKey of N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide?
The InChIKey is QDBFHFNECZRXSA-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(3)4-9-5-8/h4-6H,1-3H3,(H2,8,9)/b7-4+.
What are the key properties of N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide?
N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,3-dimethylbut-1-enyl]methanimidamide is sourced from PubChem (CID 135219650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).