N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide

C10H20N2O2 — CID 104766086

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
SMILESCOC1(C/N=C(/N)C(C)C)CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2)9(11)12-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyLNWPNIZQLIYGRO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.81
Rot. Bonds4

About N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide

N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide (PubChem CID 104766086) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
PubChem CID104766086
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
SMILESCOC1(C/N=C(/N)C(C)C)CCOC1
InChIInChI=1S/C10H20N2O2/c1-8(2)9(11)12-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyLNWPNIZQLIYGRO-UHFFFAOYSA-N
XLogP0.81
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.81
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'-(oxolan-3-ylmethyl)propanimidamide
CID 63174282
N'-(oxolan-3-ylmethyl)butanimidamide
CID 63174283
2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide
CID 63174331
N'-propyloxolane-3-carboximidamide
CID 65329773
N'-(2-methylpropyl)oxolane-3-carboximidamide
CID 65329826
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
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

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide (CID 104766086) is N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide is COC1(C/N=C(/N)C(C)C)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide?
The InChIKey is LNWPNIZQLIYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)9(11)12-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide has a molecular weight of 200.28 g/mol, XLogP of 0.81, 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]-2-methylpropanimidamide is sourced from PubChem (CID 104766086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).