5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C16H33N3O — CID 77064071

IUPAC5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1CCC(N(C)CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H33N3O/c1-5-13-7-9-14(10-8-13)19(4)12-6-11-16(2,3)15(17)18-20/h13-14,20H,5-12H2,1-4H3,(H2,17,18)
InChIKeyLNNFEWWMQUWCAV-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.44
Rot. Bonds7

About 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064071) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064071
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1CCC(N(C)CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C16H33N3O/c1-5-13-7-9-14(10-8-13)19(4)12-6-11-16(2,3)15(17)18-20/h13-14,20H,5-12H2,1-4H3,(H2,17,18)
InChIKeyLNNFEWWMQUWCAV-UHFFFAOYSA-N
XLogP3.44
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
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 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide 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

6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834
N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711210
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064071) is 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CCC1CCC(N(C)CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is LNNFEWWMQUWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-13-7-9-14(10-8-13)19(4)12-6-11-16(2,3)15(17)18-20/h13-14,20H,5-12H2,1-4H3,(H2,17,18).
What are the key properties of 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 283.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).