1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine

C14H23N5 — CID 116515102

IUPAC1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESNN/C(=N\CCCN1CCCC1)Nc1ccccc1
InChIInChI=1S/C14H23N5/c15-18-14(17-13-7-2-1-3-8-13)16-9-6-12-19-10-4-5-11-19/h1-3,7-8H,4-6,9-12,15H2,(H2,16,17,18)
InChIKeyMKWFRBGATYLWLL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.40
Rot. Bonds5

About 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine

1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 116515102) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID116515102
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESNN/C(=N\CCCN1CCCC1)Nc1ccccc1
InChIInChI=1S/C14H23N5/c15-18-14(17-13-7-2-1-3-8-13)16-9-6-12-19-10-4-5-11-19/h1-3,7-8H,4-6,9-12,15H2,(H2,16,17,18)
InChIKeyMKWFRBGATYLWLL-UHFFFAOYSA-N
XLogP1.40
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 116514712
1-amino-2-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylguanidine
CID 106026185
1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine
CID 116516298
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine (CID 116515102) is 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is NN/C(=N\CCCN1CCCC1)Nc1ccccc1.
What is the InChIKey of 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is MKWFRBGATYLWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-18-14(17-13-7-2-1-3-8-13)16-9-6-12-19-10-4-5-11-19/h1-3,7-8H,4-6,9-12,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine?
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 116515102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).