2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

C12H22N2O2 — CID 77124832

IUPAC2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COCC2CCCC2)CC1)=NO
InChIInChI=1S/C12H22N2O2/c13-11(14-15)7-12(5-6-12)9-16-8-10-3-1-2-4-10/h10,15H,1-9H2,(H2,13,14)
InChIKeyJPSXDGVPJXEUOR-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77124832) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77124832
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COCC2CCCC2)CC1)=NO
InChIInChI=1S/C12H22N2O2/c13-11(14-15)7-12(5-6-12)9-16-8-10-3-1-2-4-10/h10,15H,1-9H2,(H2,13,14)
InChIKeyJPSXDGVPJXEUOR-UHFFFAOYSA-N
XLogP2.11
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (CID 77124832) is 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(COCC2CCCC2)CC1)=NO.
What is the InChIKey of 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is JPSXDGVPJXEUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11(14-15)7-12(5-6-12)9-16-8-10-3-1-2-4-10/h10,15H,1-9H2,(H2,13,14).
What are the key properties of 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 226.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77124832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).