2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide

C9H18N2O — CID 63174331

IUPAC2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide
SMILESCC(C)/C(N)=N\CC1CCOC1
InChIInChI=1S/C9H18N2O/c1-7(2)9(10)11-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeySTGOGCQQVQAJPC-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide

2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide (PubChem CID 63174331) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide
PubChem CID63174331
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide
SMILESCC(C)/C(N)=N\CC1CCOC1
InChIInChI=1S/C9H18N2O/c1-7(2)9(10)11-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
InChIKeySTGOGCQQVQAJPC-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 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide (CID 63174331) is 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide is CC(C)/C(N)=N\CC1CCOC1.
What is the InChIKey of 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide?
The InChIKey is STGOGCQQVQAJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(10)11-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide?
2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide 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 2-methyl-N'-(oxolan-3-ylmethyl)propanimidamide is sourced from PubChem (CID 63174331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).