N'-tert-butyl-2-methylcyclopropane-1-carboximidamide

C9H18N2 — CID 65421542

IUPACN'-tert-butyl-2-methylcyclopropane-1-carboximidamide
SMILESCC1CC1/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-5-7(6)8(10)11-9(2,3)4/h6-7H,5H2,1-4H3,(H2,10,11)
InChIKeyWMMPCOYUYLLGLX-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.80
Rot. Bonds1

About N'-tert-butyl-2-methylcyclopropane-1-carboximidamide

N'-tert-butyl-2-methylcyclopropane-1-carboximidamide (PubChem CID 65421542) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-tert-butyl-2-methylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-methylcyclopropane-1-carboximidamide
PubChem CID65421542
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-tert-butyl-2-methylcyclopropane-1-carboximidamide
SMILESCC1CC1/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-5-7(6)8(10)11-9(2,3)4/h6-7H,5H2,1-4H3,(H2,10,11)
InChIKeyWMMPCOYUYLLGLX-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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'-tert-butyl-2-methylcyclopropane-1-carboximidamide?
The IUPAC name of N'-tert-butyl-2-methylcyclopropane-1-carboximidamide (CID 65421542) is N'-tert-butyl-2-methylcyclopropane-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-2-methylcyclopropane-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-2-methylcyclopropane-1-carboximidamide is CC1CC1/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-methylcyclopropane-1-carboximidamide?
The InChIKey is WMMPCOYUYLLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-5-7(6)8(10)11-9(2,3)4/h6-7H,5H2,1-4H3,(H2,10,11).
What are the key properties of N'-tert-butyl-2-methylcyclopropane-1-carboximidamide?
N'-tert-butyl-2-methylcyclopropane-1-carboximidamide has a molecular weight of 154.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-methylcyclopropane-1-carboximidamide is sourced from PubChem (CID 65421542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).