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

C10H18N2O2 — CID 104766083

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CC2)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-5-14-7-10)6-12-9(11)8-2-3-8/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyDZSPNUPGVZXXNZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.56
Rot. Bonds4

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

N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide (PubChem CID 104766083) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
PubChem CID104766083
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CC2)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-5-14-7-10)6-12-9(11)8-2-3-8/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyDZSPNUPGVZXXNZ-UHFFFAOYSA-N
XLogP0.56
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
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
N'-[(3-methoxyoxolan-3-yl)methyl]ethanimidamide
CID 104704485
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
CID 104766084
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
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]cyclopropanecarboximidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide (CID 104766083) is N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide is COC1(C/N=C(\N)C2CC2)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide?
The InChIKey is DZSPNUPGVZXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-13-10(4-5-14-7-10)6-12-9(11)8-2-3-8/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopropanecarboximidamide has a molecular weight of 198.27 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]cyclopropanecarboximidamide is sourced from PubChem (CID 104766083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).