1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine

C15H34N4O — CID 111224305

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCN(C)C(C)CC
InChIInChI=1S/C15H34N4O/c1-6-14(4)19(5)12-11-18-15(16-7-2)17-10-9-13-20-8-3/h14H,6-13H2,1-5H3,(H2,16,17,18)
InChIKeyJERYSEARXZLHHX-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.70
Rot. Bonds11

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine

1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine (PubChem CID 111224305) has the molecular formula C15H34N4O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
PubChem CID111224305
Molecular FormulaC15H34N4O
Molecular Weight286.46 g/mol
Exact Mass286.27
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOCC)NCCN(C)C(C)CC
InChIInChI=1S/C15H34N4O/c1-6-14(4)19(5)12-11-18-15(16-7-2)17-10-9-13-20-8-3/h14H,6-13H2,1-5H3,(H2,16,17,18)
InChIKeyJERYSEARXZLHHX-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropyl)-1-ethyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine;hydroiodide
CID 111222196
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111400632
2-(4-ethoxybutyl)-1-ethyl-3-(3-methylbutyl)guanidine
CID 110977551
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
2-[7-(dimethylamino)heptyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111944857
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
2-[7-(dimethylamino)heptyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895753
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111402359

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine (CID 111224305) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine is CCN/C(=N\CCCOCC)NCCN(C)C(C)CC.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
The InChIKey is JERYSEARXZLHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O/c1-6-14(4)19(5)12-11-18-15(16-7-2)17-10-9-13-20-8-3/h14H,6-13H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine?
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine has a molecular weight of 286.46 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine is sourced from PubChem (CID 111224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).