3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide

C13H27N3O — CID 79879009

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCCCC1(C)C
InChIInChI=1S/C13H27N3O/c1-4-10(9-12(14)16-17)15-11-7-5-6-8-13(11,2)3/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16)
InChIKeyCJSUZVOZMIENQH-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.46
Rot. Bonds5

About 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide

3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide (PubChem CID 79879009) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
PubChem CID79879009
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCCCC1(C)C
InChIInChI=1S/C13H27N3O/c1-4-10(9-12(14)16-17)15-11-7-5-6-8-13(11,2)3/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16)
InChIKeyCJSUZVOZMIENQH-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.46
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'}

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Related Compounds

3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 79879008
3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
CID 79836090
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
3-[(2,2-dimethylcyclopentyl)amino]pentan-1-ol
CID 115723124
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
CID 79836282
3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide
CID 77050586
3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
CID 77109780
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
CID 80720866
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide (CID 79879009) is 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CCCCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is CJSUZVOZMIENQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10(9-12(14)16-17)15-11-7-5-6-8-13(11,2)3/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 79879009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).