2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine

C13H28N4 — CID 111549121

IUPAC2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCCCN(C)CC/N=C(\NCC)NC1CC1
InChIInChI=1S/C13H28N4/c1-4-6-10-17(3)11-9-15-13(14-5-2)16-12-7-8-12/h12H,4-11H2,1-3H3,(H2,14,15,16)
InChIKeyFIGBATYASHUOIW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.44
Rot. Bonds8

About 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine

2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine (PubChem CID 111549121) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
PubChem CID111549121
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
SMILESCCCCN(C)CC/N=C(\NCC)NC1CC1
InChIInChI=1S/C13H28N4/c1-4-6-10-17(3)11-9-15-13(14-5-2)16-12-7-8-12/h12H,4-11H2,1-3H3,(H2,14,15,16)
InChIKeyFIGBATYASHUOIW-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110988571
1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017664
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256328
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111783409
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979264
1-cyclopentyl-3-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine
CID 110991769
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190428

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine?
The IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine (CID 111549121) is 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine.
What is the SMILES notation for 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine?
The canonical SMILES for 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine is CCCCN(C)CC/N=C(\NCC)NC1CC1.
What is the InChIKey of 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine?
The InChIKey is FIGBATYASHUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-6-10-17(3)11-9-15-13(14-5-2)16-12-7-8-12/h12H,4-11H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine?
2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine is sourced from PubChem (CID 111549121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).