N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide

C9H20N2O — CID 104766079

IUPACN'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
SMILESCOC(C)(C)C/N=C(/N)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(10)11-6-9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11)
InChIKeyCALJHLXCODJHCY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.42
Rot. Bonds4

About N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide

N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide (PubChem CID 104766079) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
PubChem CID104766079
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
SMILESCOC(C)(C)C/N=C(/N)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(10)11-6-9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11)
InChIKeyCALJHLXCODJHCY-UHFFFAOYSA-N
XLogP1.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.42
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'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide (CID 104766079) is N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide is COC(C)(C)C/N=C(/N)C(C)C.
What is the InChIKey of N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide?
The InChIKey is CALJHLXCODJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)8(10)11-6-9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11).
What are the key properties of N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide?
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide is sourced from PubChem (CID 104766079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).