N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide

C9H18N2O2 — CID 104766087

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1(OC)CCOC1
InChIInChI=1S/C9H18N2O2/c1-3-8(10)11-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H2,10,11)
InChIKeyMUXGIKLADHIWGP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds4

About N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide

N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide (PubChem CID 104766087) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
PubChem CID104766087
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1(OC)CCOC1
InChIInChI=1S/C9H18N2O2/c1-3-8(10)11-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H2,10,11)
InChIKeyMUXGIKLADHIWGP-UHFFFAOYSA-N
XLogP0.56
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyethyl)oxolane-3-carboximidamide
CID 65329827
2-[(3-Methoxyoxolan-3-yl)methyl]guanidine
CID 104704458
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
1-(Diaminomethylidene)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104762297
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
CID 104766083
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
CID 104766084
N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide
CID 104766085
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088
N'-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanimidamide
CID 104766089

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide (CID 104766087) is N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide is CC/C(N)=N\CC1(OC)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide?
The InChIKey is MUXGIKLADHIWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(10)11-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide has a molecular weight of 186.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide is sourced from PubChem (CID 104766087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).