1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine

C14H20Cl2N4 — CID 116512213

IUPAC1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
SMILESNN/C(=N\CCc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C14H20Cl2N4/c15-11-6-5-10(13(16)9-11)7-8-18-14(20-17)19-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,17H2,(H2,18,19,20)
InChIKeyZWSCSMPRADRBQH-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.89
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine (PubChem CID 116512213) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
PubChem CID116512213
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC Name1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
SMILESNN/C(=N\CCc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C14H20Cl2N4/c15-11-6-5-10(13(16)9-11)7-8-18-14(20-17)19-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,17H2,(H2,18,19,20)
InChIKeyZWSCSMPRADRBQH-UHFFFAOYSA-N
XLogP2.89
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.89
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

1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide
CID 7368156
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
O-[(2,4-dichlorophenyl)methyl] N-cyclohexylcarbamothioate
CID 27101870
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608
1-cyclopentyl-2-[2-(2,5-difluorophenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111965424
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine (CID 116512213) is 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine is NN/C(=N\CCc1ccc(Cl)cc1Cl)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine?
The InChIKey is ZWSCSMPRADRBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4/c15-11-6-5-10(13(16)9-11)7-8-18-14(20-17)19-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,17H2,(H2,18,19,20).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine has a molecular weight of 315.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine is sourced from PubChem (CID 116512213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).