3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide

C15H24N4 — CID 63207200

IUPAC3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CCN2CCCC2)c1
InChIInChI=1S/C15H24N4/c1-18(9-10-19-7-2-3-8-19)12-13-5-4-6-14(11-13)15(16)17/h4-6,11H,2-3,7-10,12H2,1H3,(H3,16,17)
InChIKeyLFBAHFUPUJMGDD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.50
Rot. Bonds6

About 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide

3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide (PubChem CID 63207200) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
PubChem CID63207200
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)CCN2CCCC2)c1
InChIInChI=1S/C15H24N4/c1-18(9-10-19-7-2-3-8-19)12-13-5-4-6-14(11-13)15(16)17/h4-6,11H,2-3,7-10,12H2,1H3,(H3,16,17)
InChIKeyLFBAHFUPUJMGDD-UHFFFAOYSA-N
XLogP1.50
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.50
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-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]benzenecarboximidamide
CID 64566293
3-[[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]benzenecarbothioamide
CID 82888620
3-[[2-tert-butylsulfonylethyl(methyl)amino]methyl]benzenecarboximidamide
CID 106725441
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355
3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarboximidamide
CID 82926171
3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]benzenecarbothioamide
CID 62966538
3-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]benzenecarboximidamide
CID 62966526

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide (CID 63207200) is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)CCN2CCCC2)c1.
What is the InChIKey of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is LFBAHFUPUJMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18(9-10-19-7-2-3-8-19)12-13-5-4-6-14(11-13)15(16)17/h4-6,11H,2-3,7-10,12H2,1H3,(H3,16,17).
What are the key properties of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 260.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63207200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).