N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide

C13H27N3O — CID 77028515

IUPACN'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
SMILESCCC(NCCC1CCCC(C)C1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-3-12(13(14)16-17)15-8-7-11-6-4-5-10(2)9-11/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYACPCKFTZNLJBE-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.32
Rot. Bonds6

About N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide

N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide (PubChem CID 77028515) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
PubChem CID77028515
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
SMILESCCC(NCCC1CCCC(C)C1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-3-12(13(14)16-17)15-8-7-11-6-4-5-10(2)9-11/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYACPCKFTZNLJBE-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide 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

2-(2-cyclobutylethylamino)butanamide
CID 115688602
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 77022861
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948535
2-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxybutanimidamide
CID 77029726
N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032015
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
CID 106594675
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide (CID 77028515) is N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide is CCC(NCCC1CCCC(C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide?
The InChIKey is YACPCKFTZNLJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-12(13(14)16-17)15-8-7-11-6-4-5-10(2)9-11/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide?
N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide is sourced from PubChem (CID 77028515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).