N'-(1-methoxypropan-2-yl)ethanimidamide

C6H14N2O — CID 62049796

IUPACN'-(1-methoxypropan-2-yl)ethanimidamide
SMILESCOCC(C)/N=C(\C)N
InChIInChI=1S/C6H14N2O/c1-5(4-9-3)8-6(2)7/h5H,4H2,1-3H3,(H2,7,8)
InChIKeyFJKAZKPHPFZPHE-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.40
Rot. Bonds3

About N'-(1-methoxypropan-2-yl)ethanimidamide

N'-(1-methoxypropan-2-yl)ethanimidamide (PubChem CID 62049796) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)ethanimidamide
PubChem CID62049796
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN'-(1-methoxypropan-2-yl)ethanimidamide
SMILESCOCC(C)/N=C(\C)N
InChIInChI=1S/C6H14N2O/c1-5(4-9-3)8-6(2)7/h5H,4H2,1-3H3,(H2,7,8)
InChIKeyFJKAZKPHPFZPHE-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.40
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'-(1-methoxypropan-2-yl)ethanimidamide?
The IUPAC name of N'-(1-methoxypropan-2-yl)ethanimidamide (CID 62049796) is N'-(1-methoxypropan-2-yl)ethanimidamide.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)ethanimidamide?
The canonical SMILES for N'-(1-methoxypropan-2-yl)ethanimidamide is COCC(C)/N=C(\C)N.
What is the InChIKey of N'-(1-methoxypropan-2-yl)ethanimidamide?
The InChIKey is FJKAZKPHPFZPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(4-9-3)8-6(2)7/h5H,4H2,1-3H3,(H2,7,8).
What are the key properties of N'-(1-methoxypropan-2-yl)ethanimidamide?
N'-(1-methoxypropan-2-yl)ethanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)ethanimidamide is sourced from PubChem (CID 62049796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).