2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide

C11H23N3O — CID 77050570

IUPAC2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1CCC(NC(C)C(N)=NO)C1C
InChIInChI=1S/C11H23N3O/c1-4-9-5-6-10(7(9)2)13-8(3)11(12)14-15/h7-10,13,15H,4-6H2,1-3H3,(H2,12,14)
InChIKeyNUIXYTHAKZCKGK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide

2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77050570) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide
PubChem CID77050570
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1CCC(NC(C)C(N)=NO)C1C
InChIInChI=1S/C11H23N3O/c1-4-9-5-6-10(7(9)2)13-8(3)11(12)14-15/h7-10,13,15H,4-6H2,1-3H3,(H2,12,14)
InChIKeyNUIXYTHAKZCKGK-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
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'}

Analyze 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide (CID 77050570) is 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide is CCC1CCC(NC(C)C(N)=NO)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is NUIXYTHAKZCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9-5-6-10(7(9)2)13-8(3)11(12)14-15/h7-10,13,15H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide?
2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).