1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine

C14H21ClN4 — CID 10684194

IUPAC1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN4/c15-12-4-6-13(7-5-12)18-14(16)17-8-3-11-19-9-1-2-10-19/h4-7H,1-3,8-11H2,(H3,16,17,18)
InChIKeySSZRWJLVUUGOGZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine

1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 10684194) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID10684194
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN4/c15-12-4-6-13(7-5-12)18-14(16)17-8-3-11-19-9-1-2-10-19/h4-7H,1-3,8-11H2,(H3,16,17,18)
InChIKeySSZRWJLVUUGOGZ-UHFFFAOYSA-N
XLogP2.55
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine (CID 10684194) is 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine is N/C(=N\CCCN1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is SSZRWJLVUUGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c15-12-4-6-13(7-5-12)18-14(16)17-8-3-11-19-9-1-2-10-19/h4-7H,1-3,8-11H2,(H3,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine?
1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 280.80 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 10684194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).