1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine

C13H20N4 — CID 116512584

IUPAC1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(=N/C2CCCC2)NN)cc1
InChIInChI=1S/C13H20N4/c1-10-6-8-12(9-7-10)16-13(17-14)15-11-4-2-3-5-11/h6-9,11H,2-5,14H2,1H3,(H2,15,16,17)
InChIKeyGWZUDNFDBPNXDM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds2

About 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine

1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine (PubChem CID 116512584) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
PubChem CID116512584
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(=N/C2CCCC2)NN)cc1
InChIInChI=1S/C13H20N4/c1-10-6-8-12(9-7-10)16-13(17-14)15-11-4-2-3-5-11/h6-9,11H,2-5,14H2,1H3,(H2,15,16,17)
InChIKeyGWZUDNFDBPNXDM-UHFFFAOYSA-N
XLogP2.17
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-amino-2-cyclohexyl-3-(4-fluoro-3-methylphenyl)guanidine
CID 116511110
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705
N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
1-amino-2-cyclopropyl-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514981
1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515886
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-3-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentylguanidine
CID 116515518
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine (CID 116512584) is 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine is Cc1ccc(N/C(=N/C2CCCC2)NN)cc1.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine?
The InChIKey is GWZUDNFDBPNXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-6-8-12(9-7-10)16-13(17-14)15-11-4-2-3-5-11/h6-9,11H,2-5,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine?
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine is sourced from PubChem (CID 116512584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).