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

C8H18N2O — CID 104766080

IUPACN'-(2-methoxy-2-methylpropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)(C)OC
InChIInChI=1S/C8H18N2O/c1-5-7(9)10-6-8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyFBWJBARMVSXBMI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.18
Rot. Bonds4

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

N'-(2-methoxy-2-methylpropyl)propanimidamide (PubChem CID 104766080) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(2-methoxy-2-methylpropyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-methylpropyl)propanimidamide
PubChem CID104766080
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(2-methoxy-2-methylpropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)(C)OC
InChIInChI=1S/C8H18N2O/c1-5-7(9)10-6-8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyFBWJBARMVSXBMI-UHFFFAOYSA-N
XLogP1.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.18
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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Related Compounds

N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 104888774
N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
CID 104766078
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
2-(2-ethoxy-2-methylpropyl)guanidine
CID 114942747
1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
CID 104888779
1-cyclohexyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607844
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
N'-(2-ethoxy-2-methylpropyl)ethanimidamide
CID 114944274
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methylcyclopropyl)guanidine
CID 111608407
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
CID 111607567

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-methylpropyl)propanimidamide?
The IUPAC name of N'-(2-methoxy-2-methylpropyl)propanimidamide (CID 104766080) is N'-(2-methoxy-2-methylpropyl)propanimidamide.
What is the SMILES notation for N'-(2-methoxy-2-methylpropyl)propanimidamide?
The canonical SMILES for N'-(2-methoxy-2-methylpropyl)propanimidamide is CC/C(N)=N\CC(C)(C)OC.
What is the InChIKey of N'-(2-methoxy-2-methylpropyl)propanimidamide?
The InChIKey is FBWJBARMVSXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-7(9)10-6-8(2,3)11-4/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of N'-(2-methoxy-2-methylpropyl)propanimidamide?
N'-(2-methoxy-2-methylpropyl)propanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.18, 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)propanimidamide is sourced from PubChem (CID 104766080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).