2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide

C9H20N2O — CID 79197498

IUPAC2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
SMILESCOC(C)(C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)6-11-8(10)9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11)
InChIKeyPDMZXJRIQGUINW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.42
Rot. Bonds4

About 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide

2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide (PubChem CID 79197498) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
PubChem CID79197498
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide
SMILESCOC(C)(C)/C(N)=N/CC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)6-11-8(10)9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11)
InChIKeyPDMZXJRIQGUINW-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 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
The IUPAC name of 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide (CID 79197498) is 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide.
What is the SMILES notation for 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
The canonical SMILES for 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide is COC(C)(C)/C(N)=N/CC(C)C.
What is the InChIKey of 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
The InChIKey is PDMZXJRIQGUINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)6-11-8(10)9(3,4)12-5/h7H,6H2,1-5H3,(H2,10,11).
What are the key properties of 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide?
2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide 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 2-methoxy-2-methyl-N'-(2-methylpropyl)propanimidamide is sourced from PubChem (CID 79197498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).