N'-(2-methylpropyl)oxolane-3-carboximidamide

C9H18N2O — CID 65329826

IUPACN'-(2-methylpropyl)oxolane-3-carboximidamide
SMILESCC(C)C/N=C(\N)C1CCOC1
InChIInChI=1S/C9H18N2O/c1-7(2)5-11-9(10)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeyLCLHYASVAQAWDA-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.04
Rot. Bonds3

About N'-(2-methylpropyl)oxolane-3-carboximidamide

N'-(2-methylpropyl)oxolane-3-carboximidamide (PubChem CID 65329826) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-(2-methylpropyl)oxolane-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)oxolane-3-carboximidamide
PubChem CID65329826
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN'-(2-methylpropyl)oxolane-3-carboximidamide
SMILESCC(C)C/N=C(\N)C1CCOC1
InChIInChI=1S/C9H18N2O/c1-7(2)5-11-9(10)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeyLCLHYASVAQAWDA-UHFFFAOYSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.04
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'-(2-methylpropyl)oxolane-3-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)oxolane-3-carboximidamide (CID 65329826) is N'-(2-methylpropyl)oxolane-3-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)oxolane-3-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)oxolane-3-carboximidamide is CC(C)C/N=C(\N)C1CCOC1.
What is the InChIKey of N'-(2-methylpropyl)oxolane-3-carboximidamide?
The InChIKey is LCLHYASVAQAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)5-11-9(10)8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-(2-methylpropyl)oxolane-3-carboximidamide?
N'-(2-methylpropyl)oxolane-3-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)oxolane-3-carboximidamide is sourced from PubChem (CID 65329826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).