2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine

C14H32N6O — CID 126558491

IUPAC2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
SMILESCNN(C)C(C)N/C(N)=N/C1CCC(NCCOC)CC1
InChIInChI=1S/C14H32N6O/c1-11(20(3)16-2)18-14(15)19-13-7-5-12(6-8-13)17-9-10-21-4/h11-13,16-17H,5-10H2,1-4H3,(H3,15,18,19)
InChIKeyMEAIYOXZVYGVOU-UHFFFAOYSA-N
MW300.45 g/mol
LogP-0.15
Rot. Bonds8

About 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine

2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine (PubChem CID 126558491) has the molecular formula C14H32N6O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
PubChem CID126558491
Molecular FormulaC14H32N6O
Molecular Weight300.45 g/mol
Exact Mass300.26
IUPAC Name2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
SMILESCNN(C)C(C)N/C(N)=N/C1CCC(NCCOC)CC1
InChIInChI=1S/C14H32N6O/c1-11(20(3)16-2)18-14(15)19-13-7-5-12(6-8-13)17-9-10-21-4/h11-13,16-17H,5-10H2,1-4H3,(H3,15,18,19)
InChIKeyMEAIYOXZVYGVOU-UHFFFAOYSA-N
XLogP-0.15
TPSA86.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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'}

Analyze 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine?
The IUPAC name of 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine (CID 126558491) is 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine?
The canonical SMILES for 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine is CNN(C)C(C)N/C(N)=N/C1CCC(NCCOC)CC1.
What is the InChIKey of 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine?
The InChIKey is MEAIYOXZVYGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N6O/c1-11(20(3)16-2)18-14(15)19-13-7-5-12(6-8-13)17-9-10-21-4/h11-13,16-17H,5-10H2,1-4H3,(H3,15,18,19).
What are the key properties of 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine?
2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine has a molecular weight of 300.45 g/mol, XLogP of -0.15, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine is sourced from PubChem (CID 126558491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).