4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C13H27N3O — CID 77062332

IUPAC4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1CCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,12(14)15-17)8-9-16(3)10-11-6-4-5-7-11/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyYUCVZWXEEDNFDX-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.27
Rot. Bonds6

About 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062332) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062332
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1CCCC1
InChIInChI=1S/C13H27N3O/c1-13(2,12(14)15-17)8-9-16(3)10-11-6-4-5-7-11/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyYUCVZWXEEDNFDX-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.27
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 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062332) is 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CN(CCC(C)(C)C(N)=NO)CC1CCCC1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is YUCVZWXEEDNFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,12(14)15-17)8-9-16(3)10-11-6-4-5-7-11/h11,17H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).