N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide

C15H23N3 — CID 111738646

IUPACN-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1)N1CCC(C)(C)C1
InChIInChI=1S/C15H23N3/c1-15(2)9-10-18(12-15)14(16-3)17-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17)
InChIKeyDZUYFHAWTQSCQC-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.49
Rot. Bonds2

About N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111738646) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111738646
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1)N1CCC(C)(C)C1
InChIInChI=1S/C15H23N3/c1-15(2)9-10-18(12-15)14(16-3)17-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17)
InChIKeyDZUYFHAWTQSCQC-UHFFFAOYSA-N
XLogP2.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-benzyl-2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111739057
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111739450
N-[(3-methoxyphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738019
N-[(4-cyanophenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740325
4-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111739633
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
N',3,3-trimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738045
3-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111739761

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111738646) is N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCc1ccccc1)N1CCC(C)(C)C1.
What is the InChIKey of N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is DZUYFHAWTQSCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2)9-10-18(12-15)14(16-3)17-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,16,17).
What are the key properties of N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).