2-aminoacetic acid;2-butyl-1,3-diethylguanidine

C11H26N4O2 — CID 170732226

IUPAC2-aminoacetic acid;2-butyl-1,3-diethylguanidine
SMILESCCCCN=C(NCC)NCC.NCC(=O)O
InChIInChI=1S/C9H21N3.C2H5NO2/c1-4-7-8-12-9(10-5-2)11-6-3;3-1-2(4)5/h4-8H2,1-3H3,(H2,10,11,12);1,3H2,(H,4,5)
InChIKeyLLBSDTATFIMCGN-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.39
Rot. Bonds6

About 2-aminoacetic acid;2-butyl-1,3-diethylguanidine

2-aminoacetic acid;2-butyl-1,3-diethylguanidine (PubChem CID 170732226) has the molecular formula C11H26N4O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-aminoacetic acid;2-butyl-1,3-diethylguanidine.

Molecular Properties

Compound Name2-aminoacetic acid;2-butyl-1,3-diethylguanidine
PubChem CID170732226
Molecular FormulaC11H26N4O2
Molecular Weight246.35 g/mol
Exact Mass246.21
IUPAC Name2-aminoacetic acid;2-butyl-1,3-diethylguanidine
SMILESCCCCN=C(NCC)NCC.NCC(=O)O
InChIInChI=1S/C9H21N3.C2H5NO2/c1-4-7-8-12-9(10-5-2)11-6-3;3-1-2(4)5/h4-8H2,1-3H3,(H2,10,11,12);1,3H2,(H,4,5)
InChIKeyLLBSDTATFIMCGN-UHFFFAOYSA-N
XLogP0.39
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.39
H-Bond Donors ≤ 54
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

3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
CID 11042985
N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111130141
methyl 3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111128892
2-butyl-1-carbamimidoyl-3-ethylguanidine
CID 176518606
tert-butyl N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]carbamate
CID 111150576
N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129261
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
CID 111150491
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111150952
tert-butyl N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111129883
methyl 6-[[butylamino(ethylamino)methylidene]amino]hexanoate;hydroiodide
CID 111150591

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-butyl-1,3-diethylguanidine?
The IUPAC name of 2-aminoacetic acid;2-butyl-1,3-diethylguanidine (CID 170732226) is 2-aminoacetic acid;2-butyl-1,3-diethylguanidine.
What is the SMILES notation for 2-aminoacetic acid;2-butyl-1,3-diethylguanidine?
The canonical SMILES for 2-aminoacetic acid;2-butyl-1,3-diethylguanidine is CCCCN=C(NCC)NCC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-butyl-1,3-diethylguanidine?
The InChIKey is LLBSDTATFIMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C2H5NO2/c1-4-7-8-12-9(10-5-2)11-6-3;3-1-2(4)5/h4-8H2,1-3H3,(H2,10,11,12);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-butyl-1,3-diethylguanidine?
2-aminoacetic acid;2-butyl-1,3-diethylguanidine has a molecular weight of 246.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-butyl-1,3-diethylguanidine is sourced from PubChem (CID 170732226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).