N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide

C9H18N2 — CID 131041454

IUPACN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CC(C)(C)C1
InChIInChI=1S/C9H18N2/c1-7(10)11-6-8-4-9(2,3)5-8/h8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyVFXNCDUOWDUXKU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.80
Rot. Bonds2

About N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide

N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide (PubChem CID 131041454) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide
PubChem CID131041454
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CC(C)(C)C1
InChIInChI=1S/C9H18N2/c1-7(10)11-6-8-4-9(2,3)5-8/h8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyVFXNCDUOWDUXKU-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide?
The IUPAC name of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide (CID 131041454) is N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide is C/C(N)=N\CC1CC(C)(C)C1.
What is the InChIKey of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide?
The InChIKey is VFXNCDUOWDUXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(10)11-6-8-4-9(2,3)5-8/h8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide?
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide is sourced from PubChem (CID 131041454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).