N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide

C14H24N4O — CID 114956355

IUPACN'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
SMILESCc1ccncc1CNCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C14H24N4O/c1-11-5-8-17-10-12(11)9-16-7-4-6-14(2,3)13(15)18-19/h5,8,10,16,19H,4,6-7,9H2,1-3H3,(H2,15,18)
InChIKeyVNDFBYFUTTTWJM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.03
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide (PubChem CID 114956355) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
PubChem CID114956355
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
SMILESCc1ccncc1CNCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C14H24N4O/c1-11-5-8-17-10-12(11)9-16-7-4-6-14(2,3)13(15)18-19/h5,8,10,16,19H,4,6-7,9H2,1-3H3,(H2,15,18)
InChIKeyVNDFBYFUTTTWJM-UHFFFAOYSA-N
XLogP2.03
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.03
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-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
CID 106234501
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]propanimidamide
CID 103370242
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide (CID 114956355) is N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide is Cc1ccncc1CNCCCC(C)(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide?
The InChIKey is VNDFBYFUTTTWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-5-8-17-10-12(11)9-16-7-4-6-14(2,3)13(15)18-19/h5,8,10,16,19H,4,6-7,9H2,1-3H3,(H2,15,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide has a molecular weight of 264.37 g/mol, XLogP of 2.03, 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-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide is sourced from PubChem (CID 114956355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).