4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide

C14H20ClN3 — CID 113417643

IUPAC4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCC(CCC)C1
InChIInChI=1S/C14H20ClN3/c1-2-3-10-6-7-18(9-10)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeyZORZQXYXGZOCOY-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.25
Rot. Bonds4

About 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide

4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 113417643) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID113417643
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCC(CCC)C1
InChIInChI=1S/C14H20ClN3/c1-2-3-10-6-7-18(9-10)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeyZORZQXYXGZOCOY-UHFFFAOYSA-N
XLogP3.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.25
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

4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
4-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)benzenecarboximidamide
CID 63611102
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66394053
4-chloro-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097859
2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
CID 63092167
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide (CID 113417643) is 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N1CCC(CCC)C1.
What is the InChIKey of 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is ZORZQXYXGZOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-3-10-6-7-18(9-10)13-8-11(15)4-5-12(13)14(16)17/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 265.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 113417643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).