N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide

C13H27N3O2 — CID 77063606

IUPACN'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide
SMILESCC(C)(CCCNCC1CCCOC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)6-4-7-15-9-11-5-3-8-18-10-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyJBPIPMSBOIPAAF-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.56
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide (PubChem CID 77063606) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide
PubChem CID77063606
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide
SMILESCC(C)(CCCNCC1CCCOC1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)6-4-7-15-9-11-5-3-8-18-10-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyJBPIPMSBOIPAAF-UHFFFAOYSA-N
XLogP1.56
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide (CID 77063606) is N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide is CC(C)(CCCNCC1CCCOC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide?
The InChIKey is JBPIPMSBOIPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)6-4-7-15-9-11-5-3-8-18-10-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(oxan-3-ylmethylamino)pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.56, 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-(oxan-3-ylmethylamino)pentanimidamide is sourced from PubChem (CID 77063606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).