3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide

C11H23N3O — CID 76987566

IUPAC3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C11H23N3O/c1-9(7-11(12)13-15)14(2)8-10-5-3-4-6-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHRLGYPMTOVOKSG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds5

About 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide

3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 76987566) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID76987566
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C11H23N3O/c1-9(7-11(12)13-15)14(2)8-10-5-3-4-6-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHRLGYPMTOVOKSG-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide (CID 76987566) is 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(C)CC1CCCC1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is HRLGYPMTOVOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(7-11(12)13-15)14(2)8-10-5-3-4-6-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide?
3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76987566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).