2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine

C16H34N4 — CID 111161967

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
SMILESCCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC
InChIInChI=1S/C16H34N4/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyHDPYCVFJSKSLFJ-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.46
Rot. Bonds10

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine (PubChem CID 111161967) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
PubChem CID111161967
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
SMILESCCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC
InChIInChI=1S/C16H34N4/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyHDPYCVFJSKSLFJ-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.46
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

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161966
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine
CID 111691544
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002732
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
CID 111129457
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110982902
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868072
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006544
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111868071
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylguanidine
CID 111213295
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
1-ethyl-3-hexyl-2-(3-hydroxy-2-methylpropyl)guanidine;hydroiodide
CID 111161364

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine (CID 111161967) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine is CCCCCCN/C(=N/CC(C1CC1)N(C)C)NCC.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine?
The InChIKey is HDPYCVFJSKSLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-5-7-8-9-12-18-16(17-6-2)19-13-15(20(3)4)14-10-11-14/h14-15H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine has a molecular weight of 282.48 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine is sourced from PubChem (CID 111161967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).