4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide

C13H19N3O — CID 55152264

IUPAC4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCO2)cc1
InChIInChI=1S/C13H19N3O/c1-16(9-12-3-2-8-17-12)11-6-4-10(5-7-11)13(14)15/h4-7,12H,2-3,8-9H2,1H3,(H3,14,15)
InChIKeyGLYMBTUBBUOMHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds4

About 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide

4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 55152264) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID55152264
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCO2)cc1
InChIInChI=1S/C13H19N3O/c1-16(9-12-3-2-8-17-12)11-6-4-10(5-7-11)13(14)15/h4-7,12H,2-3,8-9H2,1H3,(H3,14,15)
InChIKeyGLYMBTUBBUOMHT-UHFFFAOYSA-N
XLogP1.59
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
CID 79171067
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (CID 55152264) is 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCCO2)cc1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is GLYMBTUBBUOMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(9-12-3-2-8-17-12)11-6-4-10(5-7-11)13(14)15/h4-7,12H,2-3,8-9H2,1H3,(H3,14,15).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55152264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).