2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide

C13H27N3O — CID 77054306

IUPAC2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC1CC(C)CC(N(CC(N)=NO)C(C)C)C1
InChIInChI=1S/C13H27N3O/c1-9(2)16(8-13(14)15-17)12-6-10(3)5-11(4)7-12/h9-12,17H,5-8H2,1-4H3,(H2,14,15)
InChIKeyXLANQKKRMHETGD-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.27
Rot. Bonds4

About 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide

2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide (PubChem CID 77054306) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide
PubChem CID77054306
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide
SMILESCC1CC(C)CC(N(CC(N)=NO)C(C)C)C1
InChIInChI=1S/C13H27N3O/c1-9(2)16(8-13(14)15-17)12-6-10(3)5-11(4)7-12/h9-12,17H,5-8H2,1-4H3,(H2,14,15)
InChIKeyXLANQKKRMHETGD-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
3-[(3,5-dimethylcyclohexyl)-methylamino]-N'-hydroxypropanimidamide
CID 77054274
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N-(cyclohexylmethyl)-3-methyl-N-propan-2-ylcyclobutan-1-amine
CID 167544317
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
2-[(3,4-dimethylcyclohexyl)-methylamino]-N'-hydroxyethanimidamide
CID 77054342
2-[(3-aminocyclopentyl)-propan-2-ylamino]acetamide
CID 79468332
3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 24694035
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
CID 77044650
2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxyethanimidamide
CID 77038132
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide (CID 77054306) is 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide is CC1CC(C)CC(N(CC(N)=NO)C(C)C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide?
The InChIKey is XLANQKKRMHETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9(2)16(8-13(14)15-17)12-6-10(3)5-11(4)7-12/h9-12,17H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide?
2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)-propan-2-ylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77054306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).