N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide

C11H23N3O2 — CID 104866637

IUPACN'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
SMILESCC1(NCCCCC(N)=NO)CCOCC1
InChIInChI=1S/C11H23N3O2/c1-11(5-8-16-9-6-11)13-7-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14)
InChIKeyCIWMOVYBRZLQBO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.06
Rot. Bonds6

About N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide

N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide (PubChem CID 104866637) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
PubChem CID104866637
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide
SMILESCC1(NCCCCC(N)=NO)CCOCC1
InChIInChI=1S/C11H23N3O2/c1-11(5-8-16-9-6-11)13-7-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14)
InChIKeyCIWMOVYBRZLQBO-UHFFFAOYSA-N
XLogP1.06
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.06
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

3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611242
N'-hydroxy-5-[methyl(oxan-4-yl)amino]pentanimidamide
CID 61524287
N'-hydroxy-4-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76951548
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951556
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N'-hydroxy-3-(oxan-4-ylmethylamino)pentanimidamide
CID 77027436
N'-hydroxy-2-(oxan-4-ylmethylamino)butanimidamide
CID 77027646
N'-hydroxy-4-(oxan-4-ylmethylamino)butanimidamide
CID 77027851
N'-hydroxy-2-(oxan-4-ylmethylamino)propanimidamide
CID 77027853
N'-hydroxy-3-(oxan-4-ylmethylamino)propanimidamide
CID 77028055
N'-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanimidamide
CID 77028056

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide (CID 104866637) is N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide is CC1(NCCCCC(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
The InChIKey is CIWMOVYBRZLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(5-8-16-9-6-11)13-7-3-2-4-10(12)14-15/h13,15H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide?
N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(4-methyloxan-4-yl)amino]pentanimidamide is sourced from PubChem (CID 104866637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).