1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine

C15H25N5 — CID 116515292

IUPAC1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
SMILESCN(CC/N=C(\NN)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C15H25N5/c1-20(14-9-5-6-10-14)12-11-17-15(19-16)18-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3,(H2,17,18,19)
InChIKeyUFKTTZSHXFDAHM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.79
Rot. Bonds5

About 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine

1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine (PubChem CID 116515292) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
PubChem CID116515292
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
SMILESCN(CC/N=C(\NN)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C15H25N5/c1-20(14-9-5-6-10-14)12-11-17-15(19-16)18-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3,(H2,17,18,19)
InChIKeyUFKTTZSHXFDAHM-UHFFFAOYSA-N
XLogP1.79
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111804118
1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
CID 104885761
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-3-phenyl-2-(thian-2-ylmethyl)guanidine
CID 116515930
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
2-[2-[cyclopentyl(methyl)amino]ethyl]guanidine
CID 63316564

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine?
The IUPAC name of 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine (CID 116515292) is 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine?
The canonical SMILES for 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine is CN(CC/N=C(\NN)Nc1ccccc1)C1CCCC1.
What is the InChIKey of 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine?
The InChIKey is UFKTTZSHXFDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-20(14-9-5-6-10-14)12-11-17-15(19-16)18-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine?
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine has a molecular weight of 275.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine is sourced from PubChem (CID 116515292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).