N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide

C8H14N2 — CID 131981182

IUPACN'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C\C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5-,10-7+
InChIKeyCNEYFOJSMOLPBV-ZZWPSLBBSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds2

About N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide

N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide (PubChem CID 131981182) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
PubChem CID131981182
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C\C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5-,10-7+
InChIKeyCNEYFOJSMOLPBV-ZZWPSLBBSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide (CID 131981182) is N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C\C(C)(C)C.
What is the InChIKey of N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is CNEYFOJSMOLPBV-ZZWPSLBBSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5-,10-7+.
What are the key properties of N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide?
N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 131981182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).