N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide

C12H20N4O — CID 94230138

IUPACN'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
SMILESCN(CCCC/C(N)=N/O)Cc1ccccn1
InChIInChI=1S/C12H20N4O/c1-16(9-5-3-7-12(13)15-17)10-11-6-2-4-8-14-11/h2,4,6,8,17H,3,5,7,9-10H2,1H3,(H2,13,15)
InChIKeyOMHBYSMPDUUVHA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.43
Rot. Bonds7

About N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide

N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide (PubChem CID 94230138) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
PubChem CID94230138
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
SMILESCN(CCCC/C(N)=N/O)Cc1ccccn1
InChIInChI=1S/C12H20N4O/c1-16(9-5-3-7-12(13)15-17)10-11-6-2-4-8-14-11/h2,4,6,8,17H,3,5,7,9-10H2,1H3,(H2,13,15)
InChIKeyOMHBYSMPDUUVHA-UHFFFAOYSA-N
XLogP1.43
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
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

6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
N'-hydroxy-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanimidamide
CID 54998003
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
CID 76930176
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide (CID 94230138) is N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide is CN(CCCC/C(N)=N/O)Cc1ccccn1.
What is the InChIKey of N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide?
The InChIKey is OMHBYSMPDUUVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(9-5-3-7-12(13)15-17)10-11-6-2-4-8-14-11/h2,4,6,8,17H,3,5,7,9-10H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide?
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide has a molecular weight of 236.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 94230138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).