N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide

C11H18N4O — CID 77030286

IUPACN'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide
SMILESCC(CNCCc1ccncc1)C(N)=NO
InChIInChI=1S/C11H18N4O/c1-9(11(12)15-16)8-14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9,14,16H,4,7-8H2,1H3,(H2,12,15)
InChIKeyILSPLKQBEFHORL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.60
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide

N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide (PubChem CID 77030286) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide
PubChem CID77030286
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide
SMILESCC(CNCCc1ccncc1)C(N)=NO
InChIInChI=1S/C11H18N4O/c1-9(11(12)15-16)8-14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9,14,16H,4,7-8H2,1H3,(H2,12,15)
InChIKeyILSPLKQBEFHORL-UHFFFAOYSA-N
XLogP0.60
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
3-(but-3-ynylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77027860
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
CID 63296814
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide (CID 77030286) is N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide is CC(CNCCc1ccncc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide?
The InChIKey is ILSPLKQBEFHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(11(12)15-16)8-14-7-4-10-2-5-13-6-3-10/h2-3,5-6,9,14,16H,4,7-8H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide has a molecular weight of 222.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(2-pyridin-4-ylethylamino)propanimidamide is sourced from PubChem (CID 77030286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).