1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C12H21IN4 — CID 111024703

IUPAC1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccccn1)N(C)C.I
InChIInChI=1S/C12H20N4.HI/c1-15(2)12(16(3)4)14-10-8-11-7-5-6-9-13-11;/h5-7,9H,8,10H2,1-4H3;1H
InChIKeyYQIKAUOVNBTWNH-UHFFFAOYSA-N
MW348.23 g/mol
LogP1.72
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111024703) has the molecular formula C12H21IN4 and a molecular weight of 348.23 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111024703
Molecular FormulaC12H21IN4
Molecular Weight348.23 g/mol
Exact Mass348.08
IUPAC Name1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccccn1)N(C)C.I
InChIInChI=1S/C12H20N4.HI/c1-15(2)12(16(3)4)14-10-8-11-7-5-6-9-13-11;/h5-7,9H,8,10H2,1-4H3;1H
InChIKeyYQIKAUOVNBTWNH-UHFFFAOYSA-N
XLogP1.72
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 51.72
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

1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
CID 122098439
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-[(4-bromophenyl)methyl]-3-ethyl-1-methyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111292778
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
CID 101116594
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111286549
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111024703) is 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CN(C)C(=NCCc1ccccn1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is YQIKAUOVNBTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.HI/c1-15(2)12(16(3)4)14-10-8-11-7-5-6-9-13-11;/h5-7,9H,8,10H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 348.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111024703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).