N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide

C13H27N3O3 — CID 77071359

IUPACN'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCOCCCN(CCOC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O3/c1-18-8-3-6-16(7-9-19-2)11-13(4-5-13)10-12(14)15-17/h17H,3-11H2,1-2H3,(H2,14,15)
InChIKeyVDJKQBBRLVPFPG-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.89
Rot. Bonds11

About N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071359) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071359
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCOCCCN(CCOC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O3/c1-18-8-3-6-16(7-9-19-2)11-13(4-5-13)10-12(14)15-17/h17H,3-11H2,1-2H3,(H2,14,15)
InChIKeyVDJKQBBRLVPFPG-UHFFFAOYSA-N
XLogP0.89
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide (CID 77071359) is N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide is COCCCN(CCOC)CC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is VDJKQBBRLVPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-18-8-3-6-16(7-9-19-2)11-13(4-5-13)10-12(14)15-17/h17H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 273.38 g/mol, XLogP of 0.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).