N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide

C12H20N4O — CID 76915553

IUPACN'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CCc1ccccn1
InChIInChI=1S/C12H20N4O/c1-3-11(12(13)15-17)16(2)9-7-10-6-4-5-8-14-10/h4-6,8,11,17H,3,7,9H2,1-2H3,(H2,13,15)
InChIKeyQBXUXGFPLXJLGO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.08
Rot. Bonds6

About N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide

N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide (PubChem CID 76915553) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
PubChem CID76915553
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)CCc1ccccn1
InChIInChI=1S/C12H20N4O/c1-3-11(12(13)15-17)16(2)9-7-10-6-4-5-8-14-10/h4-6,8,11,17H,3,7,9H2,1-2H3,(H2,13,15)
InChIKeyQBXUXGFPLXJLGO-UHFFFAOYSA-N
XLogP1.08
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.08
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

3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide (CID 76915553) is N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide is CCC(C(N)=NO)N(C)CCc1ccccn1.
What is the InChIKey of N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide?
The InChIKey is QBXUXGFPLXJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-11(12(13)15-17)16(2)9-7-10-6-4-5-8-14-10/h4-6,8,11,17H,3,7,9H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide?
N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide has a molecular weight of 236.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2-pyridin-2-ylethyl)amino]butanimidamide is sourced from PubChem (CID 76915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).