2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C13H29IN4 — CID 111803509

IUPAC2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN1CCCCC1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-6-17-10-8-7-9-12(17)11-14-13(15(2)3)16(4)5;/h12H,6-11H2,1-5H3;1H
InChIKeyYRDLNOWKIXFHAY-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.96
Rot. Bonds3

About 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111803509) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111803509
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN1CCCCC1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-6-17-10-8-7-9-12(17)11-14-13(15(2)3)16(4)5;/h12H,6-11H2,1-5H3;1H
InChIKeyYRDLNOWKIXFHAY-UHFFFAOYSA-N
XLogP1.96
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085918
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1,2-diethylpiperidine
CID 19604037
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-[2-[ethyl(methyl)amino]ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111085782
2-[(1-ethylpiperidin-2-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111803465
1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111759112
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111803509) is 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CCN1CCCCC1CN=C(N(C)C)N(C)C.I.
What is the InChIKey of 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is YRDLNOWKIXFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-6-17-10-8-7-9-12(17)11-14-13(15(2)3)16(4)5;/h12H,6-11H2,1-5H3;1H.
What are the key properties of 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111803509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).