N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide

C13H22N4O — CID 77063966

IUPACN'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
SMILESCC(C)(CCCNCc1ccncc1)C(N)=NO
InChIInChI=1S/C13H22N4O/c1-13(2,12(14)17-18)6-3-7-16-10-11-4-8-15-9-5-11/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3,(H2,14,17)
InChIKeyBYRGCEBGOTZXFN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.72
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide (PubChem CID 77063966) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
PubChem CID77063966
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
SMILESCC(C)(CCCNCc1ccncc1)C(N)=NO
InChIInChI=1S/C13H22N4O/c1-13(2,12(14)17-18)6-3-7-16-10-11-4-8-15-9-5-11/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3,(H2,14,17)
InChIKeyBYRGCEBGOTZXFN-UHFFFAOYSA-N
XLogP1.72
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.72
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-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
CID 114956355
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711101
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
CID 77063115

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide (CID 77063966) is N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide is CC(C)(CCCNCc1ccncc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide?
The InChIKey is BYRGCEBGOTZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,12(14)17-18)6-3-7-16-10-11-4-8-15-9-5-11/h4-5,8-9,16,18H,3,6-7,10H2,1-2H3,(H2,14,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide has a molecular weight of 250.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide is sourced from PubChem (CID 77063966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).