5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide

C12H25N3O2 — CID 54965754

IUPAC5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESCCN(CCCCC(N)=NO)CC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-2-15(10-11-6-5-9-17-11)8-4-3-7-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyATJFSAQOBWZXJB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds8

About 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide

5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 54965754) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
PubChem CID54965754
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESCCN(CCCCC(N)=NO)CC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-2-15(10-11-6-5-9-17-11)8-4-3-7-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyATJFSAQOBWZXJB-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide (CID 54965754) is 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide is CCN(CCCCC(N)=NO)CC1CCCO1.
What is the InChIKey of 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is ATJFSAQOBWZXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-15(10-11-6-5-9-17-11)8-4-3-7-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54965754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).