N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide

C15H26N4O — CID 136920360

IUPACN'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
SMILESCCCCCCCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C15H26N4O/c1-2-3-4-5-6-7-9-17-12-13-8-10-18-14(11-13)15(16)19-20/h8,10-11,17,20H,2-7,9,12H2,1H3,(H2,16,19)
InChIKeyBHDCVSJEQLYCOG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.63
Rot. Bonds10

About N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide (PubChem CID 136920360) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
PubChem CID136920360
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
SMILESCCCCCCCCNCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C15H26N4O/c1-2-3-4-5-6-7-9-17-12-13-8-10-18-14(11-13)15(16)19-20/h8,10-11,17,20H,2-7,9,12H2,1H3,(H2,16,19)
InChIKeyBHDCVSJEQLYCOG-UHFFFAOYSA-N
XLogP2.63
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.63
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

N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
CID 163299315
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136762569

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide (CID 136920360) is N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide is CCCCCCCCNCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide?
The InChIKey is BHDCVSJEQLYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-3-4-5-6-7-9-17-12-13-8-10-18-14(11-13)15(16)19-20/h8,10-11,17,20H,2-7,9,12H2,1H3,(H2,16,19).
What are the key properties of N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136920360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).