N'-cyclopropyl-2-methoxy-2-methylpropanimidamide

C8H16N2O — CID 79197381

IUPACN'-cyclopropyl-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)/C(N)=N/C1CC1
InChIInChI=1S/C8H16N2O/c1-8(2,11-3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRQLMBDCTCBFVCL-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.93
Rot. Bonds3

About N'-cyclopropyl-2-methoxy-2-methylpropanimidamide

N'-cyclopropyl-2-methoxy-2-methylpropanimidamide (PubChem CID 79197381) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-cyclopropyl-2-methoxy-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-methoxy-2-methylpropanimidamide
PubChem CID79197381
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-cyclopropyl-2-methoxy-2-methylpropanimidamide
SMILESCOC(C)(C)/C(N)=N/C1CC1
InChIInChI=1S/C8H16N2O/c1-8(2,11-3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRQLMBDCTCBFVCL-UHFFFAOYSA-N
XLogP0.93
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-cyclopropyl-2-methoxy-2-methylpropanimidamide?
The IUPAC name of N'-cyclopropyl-2-methoxy-2-methylpropanimidamide (CID 79197381) is N'-cyclopropyl-2-methoxy-2-methylpropanimidamide.
What is the SMILES notation for N'-cyclopropyl-2-methoxy-2-methylpropanimidamide?
The canonical SMILES for N'-cyclopropyl-2-methoxy-2-methylpropanimidamide is COC(C)(C)/C(N)=N/C1CC1.
What is the InChIKey of N'-cyclopropyl-2-methoxy-2-methylpropanimidamide?
The InChIKey is RQLMBDCTCBFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,11-3)7(9)10-6-4-5-6/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N'-cyclopropyl-2-methoxy-2-methylpropanimidamide?
N'-cyclopropyl-2-methoxy-2-methylpropanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methoxy-2-methylpropanimidamide is sourced from PubChem (CID 79197381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).