4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

C15H23N3O — CID 106790941

IUPAC4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C)(C)C2)cc1OC
InChIInChI=1S/C15H23N3O/c1-15(2)6-7-18(10-15)9-11-4-5-12(14(16)17)13(8-11)19-3/h4-5,8H,6-7,9-10H2,1-3H3,(H3,16,17)
InChIKeyMTOJYEVKTVDPRZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds4

About 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide

4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106790941) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID106790941
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(C)(C)C2)cc1OC
InChIInChI=1S/C15H23N3O/c1-15(2)6-7-18(10-15)9-11-4-5-12(14(16)17)13(8-11)19-3/h4-5,8H,6-7,9-10H2,1-3H3,(H3,16,17)
InChIKeyMTOJYEVKTVDPRZ-UHFFFAOYSA-N
XLogP2.21
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
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-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 106790863
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107404848
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107455552
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
CID 106790543
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide (CID 106790941) is 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(C)(C)C2)cc1OC.
What is the InChIKey of 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is MTOJYEVKTVDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)6-7-18(10-15)9-11-4-5-12(14(16)17)13(8-11)19-3/h4-5,8H,6-7,9-10H2,1-3H3,(H3,16,17).
What are the key properties of 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide?
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).