2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide

C10H20N2O — CID 63175779

IUPAC2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC(C)/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C10H20N2O/c1-7(2)10(11)12-8(3)9-5-4-6-13-9/h7-9H,4-6H2,1-3H3,(H2,11,12)
InChIKeyKEWUPXCMYYPWNG-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide

2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide (PubChem CID 63175779) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
PubChem CID63175779
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide
SMILESCC(C)/C(N)=N\C(C)C1CCCO1
InChIInChI=1S/C10H20N2O/c1-7(2)10(11)12-8(3)9-5-4-6-13-9/h7-9H,4-6H2,1-3H3,(H2,11,12)
InChIKeyKEWUPXCMYYPWNG-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.57
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'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide (CID 63175779) is 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide is CC(C)/C(N)=N\C(C)C1CCCO1.
What is the InChIKey of 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
The InChIKey is KEWUPXCMYYPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)10(11)12-8(3)9-5-4-6-13-9/h7-9H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide?
2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[1-(oxolan-2-yl)ethyl]propanimidamide is sourced from PubChem (CID 63175779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).