5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

C16H25N3O — CID 83227573

IUPAC5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2C(C)CCC2CC)ccc1OC
InChIInChI=1S/C16H25N3O/c1-4-13-7-5-11(2)19(13)10-12-6-8-15(20-3)14(9-12)16(17)18/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H3,17,18)
InChIKeyRZEOQUGWUPXHKW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.74
Rot. Bonds5

About 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 83227573) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID83227573
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2C(C)CCC2CC)ccc1OC
InChIInChI=1S/C16H25N3O/c1-4-13-7-5-11(2)19(13)10-12-6-8-15(20-3)14(9-12)16(17)18/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H3,17,18)
InChIKeyRZEOQUGWUPXHKW-UHFFFAOYSA-N
XLogP2.74
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.74
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

5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzoic acid
CID 83221179
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340377
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106788307
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 65340092
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (CID 83227573) is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN2C(C)CCC2CC)ccc1OC.
What is the InChIKey of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is RZEOQUGWUPXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-13-7-5-11(2)19(13)10-12-6-8-15(20-3)14(9-12)16(17)18/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H3,17,18).
What are the key properties of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 83227573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).