3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C15H23N3O2 — CID 76904078

IUPAC3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1cccc(C(N)=NO)c1)CC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-2-18(11-14-7-4-8-20-14)10-12-5-3-6-13(9-12)15(16)17-19/h3,5-6,9,14,19H,2,4,7-8,10-11H2,1H3,(H2,16,17)
InChIKeyLOPXKNPCYYUGLA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds6

About 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76904078) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76904078
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1cccc(C(N)=NO)c1)CC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-2-18(11-14-7-4-8-20-14)10-12-5-3-6-13(9-12)15(16)17-19/h3,5-6,9,14,19H,2,4,7-8,10-11H2,1H3,(H2,16,17)
InChIKeyLOPXKNPCYYUGLA-UHFFFAOYSA-N
XLogP1.78
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879246
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzamide
CID 95208727
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-pyrazin-2-ylbenzamide
CID 50973491
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431933
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 76904078) is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCN(Cc1cccc(C(N)=NO)c1)CC1CCCO1.
What is the InChIKey of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LOPXKNPCYYUGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18(11-14-7-4-8-20-14)10-12-5-3-6-13(9-12)15(16)17-19/h3,5-6,9,14,19H,2,4,7-8,10-11H2,1H3,(H2,16,17).
What are the key properties of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76904078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).