2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide

C15H23ClN4 — CID 63170372

IUPAC2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H23ClN4/c1-3-19(4-2)11-8-9-20(10-11)13-7-5-6-12(16)14(13)15(17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H3,17,18)
InChIKeyAETYORNAJOVERB-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.54
Rot. Bonds5

About 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide

2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide (PubChem CID 63170372) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
PubChem CID63170372
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H23ClN4/c1-3-19(4-2)11-8-9-20(10-11)13-7-5-6-12(16)14(13)15(17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H3,17,18)
InChIKeyAETYORNAJOVERB-UHFFFAOYSA-N
XLogP2.54
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.54
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

2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 62502937
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62972678
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 115546052
3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide
CID 63170415
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)benzenecarboximidamide
CID 62502771
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
CID 62496653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide (CID 63170372) is 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N1CCC(N(CC)CC)C1.
What is the InChIKey of 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide?
The InChIKey is AETYORNAJOVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-3-19(4-2)11-8-9-20(10-11)13-7-5-6-12(16)14(13)15(17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide?
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide has a molecular weight of 294.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 63170372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).