N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide

C13H27N3O2 — CID 106710735

IUPACN'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
SMILESCC1COCCN1CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-11-10-18-9-8-16(11)7-5-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyMFDYMCGYEOCVET-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide (PubChem CID 106710735) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
PubChem CID106710735
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
SMILESCC1COCCN1CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-11-10-18-9-8-16(11)7-5-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyMFDYMCGYEOCVET-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

1-amino-2-methyl-6-(3-methylmorpholin-4-yl)hexan-2-ol
CID 64821780
2-amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64796610
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
2,2-dimethyl-4-(3-methylmorpholin-4-yl)butanimidamide
CID 65250968
3,3-dimethyl-6-(3-methylmorpholin-4-yl)hexan-1-amine
CID 65295808
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N-tert-butyl-5-(3-methylmorpholin-4-yl)pentan-1-amine
CID 55074463
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710744
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710704
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide (CID 106710735) is N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide is CC1COCCN1CCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide?
The InChIKey is MFDYMCGYEOCVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-10-18-9-8-16(11)7-5-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide is sourced from PubChem (CID 106710735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).