5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide

C13H18ClN3 — CID 63219551

IUPAC5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCCC1(C)C
InChIInChI=1S/C13H18ClN3/c1-13(2)6-3-7-17(13)11-5-4-9(14)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H3,15,16)
InChIKeySNQHCKARGQGMMM-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide

5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 63219551) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID63219551
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCCC1(C)C
InChIInChI=1S/C13H18ClN3/c1-13(2)6-3-7-17(13)11-5-4-9(14)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H3,15,16)
InChIKeySNQHCKARGQGMMM-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.00
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-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930509
5-chloro-2-(3,3-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493925
4-chloro-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097859
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254
5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzenecarboximidamide
CID 63153099
2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63219730
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929923
1-[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114861034
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide (CID 63219551) is 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N1CCCC1(C)C.
What is the InChIKey of 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is SNQHCKARGQGMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-13(2)6-3-7-17(13)11-5-4-9(14)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H3,15,16).
What are the key properties of 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide?
5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 251.76 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63219551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).