1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine

C15H24N4 — CID 110915897

IUPAC1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESN/C(=N\CCCCN1CCCC1)Nc1ccccc1
InChIInChI=1S/C15H24N4/c16-15(18-14-8-2-1-3-9-14)17-10-4-5-11-19-12-6-7-13-19/h1-3,8-9H,4-7,10-13H2,(H3,16,17,18)
InChIKeyKAUCOPQCTLNCSF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.29
Rot. Bonds6

About 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine

1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 110915897) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
PubChem CID110915897
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
SMILESN/C(=N\CCCCN1CCCC1)Nc1ccccc1
InChIInChI=1S/C15H24N4/c16-15(18-14-8-2-1-3-9-14)17-10-4-5-11-19-12-6-7-13-19/h1-3,8-9H,4-7,10-13H2,(H3,16,17,18)
InChIKeyKAUCOPQCTLNCSF-UHFFFAOYSA-N
XLogP2.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.29
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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Related Compounds

1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
1-(3,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059744
1-(4-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061935
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
1-(4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111060169
2-(3-pyrrolidin-1-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111034774
1-(3-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061905
tert-butyl 4-[3-[[amino(anilino)methylidene]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 110927390
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
CID 111108252

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine (CID 110915897) is 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine is N/C(=N\CCCCN1CCCC1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is KAUCOPQCTLNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c16-15(18-14-8-2-1-3-9-14)17-10-4-5-11-19-12-6-7-13-19/h1-3,8-9H,4-7,10-13H2,(H3,16,17,18).
What are the key properties of 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine?
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 260.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110915897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).