N'-hydroxy-2-methyl-3-pentoxypropanimidamide

C9H20N2O2 — CID 43275177

IUPACN'-hydroxy-2-methyl-3-pentoxypropanimidamide
SMILESCCCCCOCC(C)/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-13-7-8(2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAIIFFZIMHXRCCS-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.58
Rot. Bonds7

About N'-hydroxy-2-methyl-3-pentoxypropanimidamide

N'-hydroxy-2-methyl-3-pentoxypropanimidamide (PubChem CID 43275177) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-pentoxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-pentoxypropanimidamide
PubChem CID43275177
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN'-hydroxy-2-methyl-3-pentoxypropanimidamide
SMILESCCCCCOCC(C)/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-13-7-8(2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAIIFFZIMHXRCCS-UHFFFAOYSA-N
XLogP1.58
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.58
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

3-hexoxy-N'-hydroxy-2-methylpropanimidamide
CID 43368824
tert-butyl N-[(1Z)-1-amino-3-butoxy-1-hydroxyiminopropan-2-yl]carbamate
CID 88895904
3-(2-butoxyethoxy)-2-methylpropanethioamide
CID 43175344
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-(2-propoxypropoxy)pentane
CID 22002926
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
2-methyl-3-pentoxypropan-1-ol
CID 56616960

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-pentoxypropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-pentoxypropanimidamide (CID 43275177) is N'-hydroxy-2-methyl-3-pentoxypropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-pentoxypropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-pentoxypropanimidamide is CCCCCOCC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-pentoxypropanimidamide?
The InChIKey is AIIFFZIMHXRCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-5-6-13-7-8(2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-pentoxypropanimidamide?
N'-hydroxy-2-methyl-3-pentoxypropanimidamide has a molecular weight of 188.27 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-pentoxypropanimidamide is sourced from PubChem (CID 43275177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).