1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine

C13H18Cl2N4 — CID 116515436

IUPAC1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
SMILESNN/C(=N\C1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,16H2,(H2,17,18,19)
InChIKeyHXZOTNAWBNKYLH-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.56
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine

1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine (PubChem CID 116515436) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
PubChem CID116515436
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC Name1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine
SMILESNN/C(=N\C1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,16H2,(H2,17,18,19)
InChIKeyHXZOTNAWBNKYLH-UHFFFAOYSA-N
XLogP3.56
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine (CID 116515436) is 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine is NN/C(=N\C1CCCCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine?
The InChIKey is HXZOTNAWBNKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4/c14-10-7-4-8-11(15)12(10)18-13(19-16)17-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,16H2,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine?
1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine has a molecular weight of 301.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(2,6-dichlorophenyl)guanidine is sourced from PubChem (CID 116515436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).