4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C11H23N3O — CID 77072429

IUPAC4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1CC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-11(2,10(12)14-15)6-8-13-7-5-9-3-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyMUBIMRLQMPMSNR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.54
Rot. Bonds7

About 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77072429) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77072429
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCCC1CC1)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-11(2,10(12)14-15)6-8-13-7-5-9-3-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyMUBIMRLQMPMSNR-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77072429) is 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNCCC1CC1)C(N)=NO.
What is the InChIKey of 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is MUBIMRLQMPMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,10(12)14-15)6-8-13-7-5-9-3-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77072429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).