2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

C11H24N4 — CID 62361922

IUPAC2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCC/N=C(\N)N(C)C1CCN(CC)CC1
InChIInChI=1S/C11H24N4/c1-4-13-11(12)14(3)10-6-8-15(5-2)9-7-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyVPTUHCFGHUEZKJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds3

About 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (PubChem CID 62361922) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
PubChem CID62361922
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCC/N=C(\N)N(C)C1CCN(CC)CC1
InChIInChI=1S/C11H24N4/c1-4-13-11(12)14(3)10-6-8-15(5-2)9-7-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyVPTUHCFGHUEZKJ-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
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

2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 77054011
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 62362142
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
1-cyclopropyl-1-methyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 110031468
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110030010
2,2,2-trifluoroethyl N-(1-ethylpiperidin-4-yl)-N-methylcarbamate
CID 65173697
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The IUPAC name of 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (CID 62361922) is 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.
What is the SMILES notation for 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The canonical SMILES for 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is CC/N=C(\N)N(C)C1CCN(CC)CC1.
What is the InChIKey of 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The InChIKey is VPTUHCFGHUEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-13-11(12)14(3)10-6-8-15(5-2)9-7-10/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is sourced from PubChem (CID 62361922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).