N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide

C14H24N4O2 — CID 77031333

IUPACN'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
SMILESCC(C)Oc1ncccc1CNCCCCC(N)=NO
InChIInChI=1S/C14H24N4O2/c1-11(2)20-14-12(6-5-9-17-14)10-16-8-4-3-7-13(15)18-19/h5-6,9,11,16,19H,3-4,7-8,10H2,1-2H3,(H2,15,18)
InChIKeyGQOVNEPHUYTTJW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds9

About N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide

N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide (PubChem CID 77031333) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
PubChem CID77031333
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
SMILESCC(C)Oc1ncccc1CNCCCCC(N)=NO
InChIInChI=1S/C14H24N4O2/c1-11(2)20-14-12(6-5-9-17-14)10-16-8-4-3-7-13(15)18-19/h5-6,9,11,16,19H,3-4,7-8,10H2,1-2H3,(H2,15,18)
InChIKeyGQOVNEPHUYTTJW-UHFFFAOYSA-N
XLogP1.88
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
N'-hydroxy-4-[(2-methylphenyl)methylamino]butanimidamide
CID 77029228
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984
3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 65163837
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide (CID 77031333) is N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide is CC(C)Oc1ncccc1CNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide?
The InChIKey is GQOVNEPHUYTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)20-14-12(6-5-9-17-14)10-16-8-4-3-7-13(15)18-19/h5-6,9,11,16,19H,3-4,7-8,10H2,1-2H3,(H2,15,18).
What are the key properties of N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide?
N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide has a molecular weight of 280.37 g/mol, XLogP of 1.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide is sourced from PubChem (CID 77031333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).