1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine

C11H27N5 — CID 104882910

IUPAC1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)NN
InChIInChI=1S/C11H27N5/c1-6-13-11(15-12)14-7-8-16(9(2)3)10(4)5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyUDIGBYQSDAPFCC-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.53
Rot. Bonds6

About 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine

1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine (PubChem CID 104882910) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
PubChem CID104882910
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCN(C(C)C)C(C)C)NN
InChIInChI=1S/C11H27N5/c1-6-13-11(15-12)14-7-8-16(9(2)3)10(4)5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15)
InChIKeyUDIGBYQSDAPFCC-UHFFFAOYSA-N
XLogP0.53
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.53
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

2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[(E)-pent-3-enyl]guanidine
CID 111587845
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-[2-(diethylsulfamoyl)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111764143
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
methyl 3-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111248544
1-(2-tert-butylsulfonylethyl)-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111573658
1-amino-2-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethylguanidine
CID 104885761
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111247386
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111247659
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111499432
1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
CID 104886880
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955978

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The IUPAC name of 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine (CID 104882910) is 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The canonical SMILES for 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine is CCN/C(=N\CCN(C(C)C)C(C)C)NN.
What is the InChIKey of 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
The InChIKey is UDIGBYQSDAPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-6-13-11(15-12)14-7-8-16(9(2)3)10(4)5/h9-10H,6-8,12H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine?
1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine has a molecular weight of 229.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine is sourced from PubChem (CID 104882910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).