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

C8H18N2O — CID 79605129

IUPAC2-methoxy-N'-(2-methylpropyl)propanimidamide
SMILESCOC(C)/C(N)=N/CC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-8(9)7(3)11-4/h6-7H,5H2,1-4H3,(H2,9,10)
InChIKeyIGGVATPNSFCWOK-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.03
Rot. Bonds4

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

2-methoxy-N'-(2-methylpropyl)propanimidamide (PubChem CID 79605129) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-N'-(2-methylpropyl)propanimidamide.

Molecular Properties

Compound Name2-methoxy-N'-(2-methylpropyl)propanimidamide
PubChem CID79605129
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-methoxy-N'-(2-methylpropyl)propanimidamide
SMILESCOC(C)/C(N)=N/CC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-8(9)7(3)11-4/h6-7H,5H2,1-4H3,(H2,9,10)
InChIKeyIGGVATPNSFCWOK-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-N'-(2-methylpropyl)propanimidamide?
The IUPAC name of 2-methoxy-N'-(2-methylpropyl)propanimidamide (CID 79605129) is 2-methoxy-N'-(2-methylpropyl)propanimidamide.
What is the SMILES notation for 2-methoxy-N'-(2-methylpropyl)propanimidamide?
The canonical SMILES for 2-methoxy-N'-(2-methylpropyl)propanimidamide is COC(C)/C(N)=N/CC(C)C.
What is the InChIKey of 2-methoxy-N'-(2-methylpropyl)propanimidamide?
The InChIKey is IGGVATPNSFCWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)5-10-8(9)7(3)11-4/h6-7H,5H2,1-4H3,(H2,9,10).
What are the key properties of 2-methoxy-N'-(2-methylpropyl)propanimidamide?
2-methoxy-N'-(2-methylpropyl)propanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2-methylpropyl)propanimidamide is sourced from PubChem (CID 79605129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).