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

C14H21N3O — CID 55057250

IUPAC4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)CC1CCCO1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(8-10)17(2)9-11-4-3-7-18-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyRXUYTUNISSOAHE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds4

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

4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 55057250) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID55057250
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)CC1CCCO1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(8-10)17(2)9-11-4-3-7-18-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyRXUYTUNISSOAHE-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
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

4-methyl-2-[methyl(oxan-2-ylmethyl)amino]benzenecarbothioamide
CID 62303105
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
2-[cyclobutyl(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 102863021
ethyl 2-amino-3-[methyl(oxolan-2-ylmethyl)amino]benzoate
CID 115545114
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (CID 55057250) is 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(C)CC1CCCO1.
What is the InChIKey of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is RXUYTUNISSOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-12(14(15)16)13(8-10)17(2)9-11-4-3-7-18-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,15,16).
What are the key properties of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55057250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).