2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide

C13H19N3 — CID 60974617

IUPAC2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CCCC1C
InChIInChI=1S/C13H19N3/c1-10-5-4-8-16(10)9-11-6-2-3-7-12(11)13(14)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H3,14,15)
InChIKeySIOAUHRBJOWCQN-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.95
Rot. Bonds3

About 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide

2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 60974617) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
PubChem CID60974617
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CCCC1C
InChIInChI=1S/C13H19N3/c1-10-5-4-8-16(10)9-11-6-2-3-7-12(11)13(14)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H3,14,15)
InChIKeySIOAUHRBJOWCQN-UHFFFAOYSA-N
XLogP1.95
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
CID 54980724
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43590347
2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24708467
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 24695357
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117878
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 64599345
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 107404843
2-[(4-phenylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24705262
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072129
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide (CID 60974617) is 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN1CCCC1C.
What is the InChIKey of 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is SIOAUHRBJOWCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-5-4-8-16(10)9-11-6-2-3-7-12(11)13(14)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H3,14,15).
What are the key properties of 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 217.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 60974617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).