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

C15H24N4 — CID 55162446

IUPAC4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C15H24N4/c1-18(10-11-19-8-2-3-9-19)12-13-4-6-14(7-5-13)15(16)17/h4-7H,2-3,8-12H2,1H3,(H3,16,17)
InChIKeyORMRMKLFMXLTEA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.50
Rot. Bonds6

About 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide

4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide (PubChem CID 55162446) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
PubChem CID55162446
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN2CCCC2)cc1
InChIInChI=1S/C15H24N4/c1-18(10-11-19-8-2-3-9-19)12-13-4-6-14(7-5-13)15(16)17/h4-7H,2-3,8-12H2,1H3,(H3,16,17)
InChIKeyORMRMKLFMXLTEA-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

3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207200
3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
6-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboximidamide
CID 63207811

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide (CID 55162446) is 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCN2CCCC2)cc1.
What is the InChIKey of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is ORMRMKLFMXLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18(10-11-19-8-2-3-9-19)12-13-4-6-14(7-5-13)15(16)17/h4-7H,2-3,8-12H2,1H3,(H3,16,17).
What are the key properties of 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide?
4-[[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 4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 55162446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).