N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide

C12H25N3O — CID 77032285

IUPACN'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCCCC1CNCCCC(N)=NO
InChIInChI=1S/C12H25N3O/c1-10-5-2-3-6-11(10)9-14-8-4-7-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyRUDSSPDNRWIKTJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.93
Rot. Bonds6

About N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide

N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide (PubChem CID 77032285) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
PubChem CID77032285
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCCCC1CNCCCC(N)=NO
InChIInChI=1S/C12H25N3O/c1-10-5-2-3-6-11(10)9-14-8-4-7-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyRUDSSPDNRWIKTJ-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-[(2-methylcyclohexyl)methylamino]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

N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073768
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
CID 107417872
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
CID 77028264
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
N'-hydroxy-5-(2-methylcyclohexyl)oxypentanimidamide
CID 109374679
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide (CID 77032285) is N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide is CC1CCCCC1CNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide?
The InChIKey is RUDSSPDNRWIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-5-2-3-6-11(10)9-14-8-4-7-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide?
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide is sourced from PubChem (CID 77032285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).