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

C12H22N2O — CID 63175782

IUPACN'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide
SMILESCC(/N=C(\N)C1CCCC1)C1CCCO1
InChIInChI=1S/C12H22N2O/c1-9(11-7-4-8-15-11)14-12(13)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H2,13,14)
InChIKeyGKHHGJOTKMMZQY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds3

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

N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide (PubChem CID 63175782) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide
PubChem CID63175782
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide
SMILESCC(/N=C(\N)C1CCCC1)C1CCCO1
InChIInChI=1S/C12H22N2O/c1-9(11-7-4-8-15-11)14-12(13)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H2,13,14)
InChIKeyGKHHGJOTKMMZQY-UHFFFAOYSA-N
XLogP2.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
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]cyclopentanecarboximidamide?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide (CID 63175782) is N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide is CC(/N=C(\N)C1CCCC1)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide?
The InChIKey is GKHHGJOTKMMZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(11-7-4-8-15-11)14-12(13)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H2,13,14).
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide?
N'-[1-(oxolan-2-yl)ethyl]cyclopentanecarboximidamide has a molecular weight of 210.32 g/mol, XLogP of 2.10, 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]cyclopentanecarboximidamide is sourced from PubChem (CID 63175782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).