2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide

C11H23N3O — CID 79879008

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NC1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-8(10(12)14-15)13-9-6-4-5-7-11(9,2)3/h8-9,13,15H,4-7H2,1-3H3,(H2,12,14)
InChIKeyIFZOMEIACBFYDD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.68
Rot. Bonds3

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

2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide (PubChem CID 79879008) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
PubChem CID79879008
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NC1CCCCC1(C)C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-8(10(12)14-15)13-9-6-4-5-7-11(9,2)3/h8-9,13,15H,4-7H2,1-3H3,(H2,12,14)
InChIKeyIFZOMEIACBFYDD-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.68
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

N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
CID 79879009
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
3-[(2,2-dimethylcyclohexyl)amino]butan-1-ol
CID 81338842
2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
CID 79870047
2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 77031616
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbutanoic acid
CID 79870300
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
CID 77027223
(2S)-2-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79857329
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
CID 79836282

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide (CID 79879008) is 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide is CC(NC1CCCCC1(C)C)C(N)=NO.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IFZOMEIACBFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(10(12)14-15)13-9-6-4-5-7-11(9,2)3/h8-9,13,15H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide?
2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79879008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).