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

C12H25N3O2 — CID 61434857

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)CC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15(4-2)9-11-6-5-7-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyYGMLTPSTEIMGKJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds7

About 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide

3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 61434857) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
PubChem CID61434857
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)CC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15(4-2)9-11-6-5-7-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyYGMLTPSTEIMGKJ-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': '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 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide (CID 61434857) is 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(CC)CC1CCCO1.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is YGMLTPSTEIMGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15(4-2)9-11-6-5-7-17-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide?
3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 61434857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).