2-butyl-1-[2-(diethylamino)ethyl]guanidine

C11H26N4 — CID 111022666

IUPAC2-butyl-1-[2-(diethylamino)ethyl]guanidine
SMILESCCCC/N=C(\N)NCCN(CC)CC
InChIInChI=1S/C11H26N4/c1-4-7-8-13-11(12)14-9-10-15(5-2)6-3/h4-10H2,1-3H3,(H3,12,13,14)
InChIKeyHMCIMPAPCOIDIT-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.03
Rot. Bonds8

About 2-butyl-1-[2-(diethylamino)ethyl]guanidine

2-butyl-1-[2-(diethylamino)ethyl]guanidine (PubChem CID 111022666) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-butyl-1-[2-(diethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-butyl-1-[2-(diethylamino)ethyl]guanidine
PubChem CID111022666
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name2-butyl-1-[2-(diethylamino)ethyl]guanidine
SMILESCCCC/N=C(\N)NCCN(CC)CC
InChIInChI=1S/C11H26N4/c1-4-7-8-13-11(12)14-9-10-15(5-2)6-3/h4-10H2,1-3H3,(H3,12,13,14)
InChIKeyHMCIMPAPCOIDIT-UHFFFAOYSA-N
XLogP1.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1,2-dibutylguanidine;phosphoric acid
CID 166600390
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
2-[4-(diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347
1,2-dibutylguanidine;nitric acid
CID 161280098
2-butyl-1-[2-(tert-butylamino)ethyl]guanidine;hydroiodide
CID 111803437
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
2-[3-(dipropylamino)propyl]-1-(3-methylbutyl)guanidine
CID 111077417
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
1,2-bis(3-butoxypropyl)guanidine
CID 23104027

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(diethylamino)ethyl]guanidine?
The IUPAC name of 2-butyl-1-[2-(diethylamino)ethyl]guanidine (CID 111022666) is 2-butyl-1-[2-(diethylamino)ethyl]guanidine.
What is the SMILES notation for 2-butyl-1-[2-(diethylamino)ethyl]guanidine?
The canonical SMILES for 2-butyl-1-[2-(diethylamino)ethyl]guanidine is CCCC/N=C(\N)NCCN(CC)CC.
What is the InChIKey of 2-butyl-1-[2-(diethylamino)ethyl]guanidine?
The InChIKey is HMCIMPAPCOIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-4-7-8-13-11(12)14-9-10-15(5-2)6-3/h4-10H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-butyl-1-[2-(diethylamino)ethyl]guanidine?
2-butyl-1-[2-(diethylamino)ethyl]guanidine has a molecular weight of 214.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(diethylamino)ethyl]guanidine is sourced from PubChem (CID 111022666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).