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

C10H18N2O — CID 63175780

IUPACN'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide
SMILESCC(/N=C(\N)C1CC1)C1CCCO1
InChIInChI=1S/C10H18N2O/c1-7(9-3-2-6-13-9)12-10(11)8-4-5-8/h7-9H,2-6H2,1H3,(H2,11,12)
InChIKeyMPRNRYXLKUCOHL-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.32
Rot. Bonds3

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

N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide (PubChem CID 63175780) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide
PubChem CID63175780
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide
SMILESCC(/N=C(\N)C1CC1)C1CCCO1
InChIInChI=1S/C10H18N2O/c1-7(9-3-2-6-13-9)12-10(11)8-4-5-8/h7-9H,2-6H2,1H3,(H2,11,12)
InChIKeyMPRNRYXLKUCOHL-UHFFFAOYSA-N
XLogP1.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.32
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'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide (CID 63175780) is N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide is CC(/N=C(\N)C1CC1)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide?
The InChIKey is MPRNRYXLKUCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(9-3-2-6-13-9)12-10(11)8-4-5-8/h7-9H,2-6H2,1H3,(H2,11,12).
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide?
N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide has a molecular weight of 182.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-2-yl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63175780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).