N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide

C14H29N3O2 — CID 77104698

IUPACN'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CCCCC1CO)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-8-16-9-11-5-3-4-6-12(11)10-18/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17)
InChIKeyCAYFNPCMAWRESL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.54
Rot. Bonds7

About N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide (PubChem CID 77104698) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide
PubChem CID77104698
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1CCCCC1CO)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-8-16-9-11-5-3-4-6-12(11)10-18/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17)
InChIKeyCAYFNPCMAWRESL-UHFFFAOYSA-N
XLogP1.54
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide 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 N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide (CID 77104698) is N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide is CC(C)(CCNCC1CCCCC1CO)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is CAYFNPCMAWRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)17-19)7-8-16-9-11-5-3-4-6-12(11)10-18/h11-12,16,18-19H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77104698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).