3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide

C11H23N3O — CID 76950884

IUPAC3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCC1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14(2)8-9-5-4-6-9/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMLDXITHYTISTAL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds6

About 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide

3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 76950884) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID76950884
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCC1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14(2)8-9-5-4-6-9/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMLDXITHYTISTAL-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.63
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 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide (CID 76950884) is 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(C)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is MLDXITHYTISTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14(2)8-9-5-4-6-9/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76950884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).