4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C11H25N3O2 — CID 104861776

IUPAC4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCCO)CCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-14(7-5-9-15)8-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyAPYLPGBYQOQBIP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.85
Rot. Bonds8

About 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 104861776) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID104861776
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCCO)CCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-14(7-5-9-15)8-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyAPYLPGBYQOQBIP-UHFFFAOYSA-N
XLogP0.85
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710799
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710790
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062836
4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062994
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062294
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 104861776) is 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CCN(CCCO)CCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is APYLPGBYQOQBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-14(7-5-9-15)8-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104861776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).