N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide

C13H28N4O — CID 79318759

IUPACN'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1CCCN1C
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15-18)7-9-16(3)10-11-6-5-8-17(11)4/h11,18H,5-10H2,1-4H3,(H2,14,15)
InChIKeyYLMDLCBHTDKTDX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.18
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide (PubChem CID 79318759) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
PubChem CID79318759
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC1CCCN1C
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15-18)7-9-16(3)10-11-6-5-8-17(11)4/h11,18H,5-10H2,1-4H3,(H2,14,15)
InChIKeyYLMDLCBHTDKTDX-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
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

4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062332
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 79312719
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide (CID 79318759) is N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide is CN(CCC(C)(C)C(N)=NO)CC1CCCN1C.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide?
The InChIKey is YLMDLCBHTDKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,12(14)15-18)7-9-16(3)10-11-6-5-8-17(11)4/h11,18H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide is sourced from PubChem (CID 79318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).