2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide

C9H21N3O2 — CID 77058097

IUPAC2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-14-7-5-6-12(3)8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyKRVLRJRNQXTUIT-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.48
Rot. Bonds7

About 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide

2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77058097) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID77058097
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-14-7-5-6-12(3)8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyKRVLRJRNQXTUIT-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.48
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

N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
N'-hydroxy-2-[methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]propanimidamide
CID 104891315
1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
CID 57226241

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide (CID 77058097) is 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide is CCOCCCN(C)C(C)C(N)=NO.
What is the InChIKey of 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is KRVLRJRNQXTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-14-7-5-6-12(3)8(2)9(10)11-13/h8,13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77058097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).