2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C13H25N3O2 — CID 77071255

IUPAC2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCCOC2CCCC2)CC1)=NO
InChIInChI=1S/C13H25N3O2/c14-12(16-17)9-13(5-6-13)10-15-7-8-18-11-3-1-2-4-11/h11,15,17H,1-10H2,(H2,14,16)
InChIKeyBESHAXJOCPENBZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.45
Rot. Bonds8

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

2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071255) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071255
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CNCCOC2CCCC2)CC1)=NO
InChIInChI=1S/C13H25N3O2/c14-12(16-17)9-13(5-6-13)10-15-7-8-18-11-3-1-2-4-11/h11,15,17H,1-10H2,(H2,14,16)
InChIKeyBESHAXJOCPENBZ-UHFFFAOYSA-N
XLogP1.45
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071255) is 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CNCCOC2CCCC2)CC1)=NO.
What is the InChIKey of 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is BESHAXJOCPENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-12(16-17)9-13(5-6-13)10-15-7-8-18-11-3-1-2-4-11/h11,15,17H,1-10H2,(H2,14,16).
What are the key properties of 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 255.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopentyloxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).