3-hexoxy-N'-hydroxy-2-methylpropanimidamide

C10H22N2O2 — CID 43368824

IUPAC3-hexoxy-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCCCOCC(C)/C(N)=N/O
InChIInChI=1S/C10H22N2O2/c1-3-4-5-6-7-14-8-9(2)10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJASLJWJPYJBTTK-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.97
Rot. Bonds8

About 3-hexoxy-N'-hydroxy-2-methylpropanimidamide

3-hexoxy-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43368824) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-hexoxy-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-hexoxy-N'-hydroxy-2-methylpropanimidamide
PubChem CID43368824
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-hexoxy-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCCCOCC(C)/C(N)=N/O
InChIInChI=1S/C10H22N2O2/c1-3-4-5-6-7-14-8-9(2)10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJASLJWJPYJBTTK-UHFFFAOYSA-N
XLogP1.97
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3-pentoxypropanimidamide
CID 43275177
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-octoxypropan-2-ol
CID 55250295
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
3-hexoxy-N,N,2-trimethylpropanamide
CID 89427319
tert-butyl N-[(1Z)-1-amino-3-butoxy-1-hydroxyiminopropan-2-yl]carbamate
CID 88895904
2-methyl-3-undecoxypropan-1-ol
CID 138675065
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-hexoxy-N'-hydroxy-2-methylpropanimidamide (CID 43368824) is 3-hexoxy-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-hexoxy-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-hexoxy-N'-hydroxy-2-methylpropanimidamide is CCCCCCOCC(C)/C(N)=N/O.
What is the InChIKey of 3-hexoxy-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is JASLJWJPYJBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-4-5-6-7-14-8-9(2)10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 3-hexoxy-N'-hydroxy-2-methylpropanimidamide?
3-hexoxy-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43368824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).