N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide

C13H27N3O — CID 113359696

IUPACN'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide
SMILESCC1(C)CC(NCCC(N)=NO)CC(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-12(2)7-10(8-13(3,4)9-12)15-6-5-11(14)16-17/h10,15,17H,5-9H2,1-4H3,(H2,14,16)
InChIKeyVAKFPMNVTGFYNJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.32
Rot. Bonds4

About N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide

N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide (PubChem CID 113359696) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide
PubChem CID113359696
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide
SMILESCC1(C)CC(NCCC(N)=NO)CC(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-12(2)7-10(8-13(3,4)9-12)15-6-5-11(14)16-17/h10,15,17H,5-9H2,1-4H3,(H2,14,16)
InChIKeyVAKFPMNVTGFYNJ-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.32
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 N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide 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

3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
3,3,3-trifluoro-N'-hydroxy-2-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]propanimidamide
CID 103370117
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966111
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
CID 104807528
N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
CID 77055284
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
CID 112682262
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876
3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypropanimidamide
CID 77050582

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide (CID 113359696) is N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide is CC1(C)CC(NCCC(N)=NO)CC(C)(C)C1.
What is the InChIKey of N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide?
The InChIKey is VAKFPMNVTGFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)7-10(8-13(3,4)9-12)15-6-5-11(14)16-17/h10,15,17H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide?
N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 113359696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).