2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C14H25IN4O — CID 111087496

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOc1c(C)cnc(CN=C(N(C)C)N(C)C)c1C.I
InChIInChI=1S/C14H24N4O.HI/c1-10-8-15-12(11(2)13(10)19-7)9-16-14(17(3)4)18(5)6;/h8H,9H2,1-7H3;1H
InChIKeyHWKVLDDIWZGOST-UHFFFAOYSA-N
MW392.29 g/mol
LogP2.30
Rot. Bonds3

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111087496) has the molecular formula C14H25IN4O and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111087496
Molecular FormulaC14H25IN4O
Molecular Weight392.29 g/mol
Exact Mass392.11
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOc1c(C)cnc(CN=C(N(C)C)N(C)C)c1C.I
InChIInChI=1S/C14H24N4O.HI/c1-10-8-15-12(11(2)13(10)19-7)9-16-14(17(3)4)18(5)6;/h8H,9H2,1-7H3;1H
InChIKeyHWKVLDDIWZGOST-UHFFFAOYSA-N
XLogP2.30
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365894
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 111087456
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111087460
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylguanidine;hydroiodide
CID 110917067
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylguanidine
CID 111225861
3-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109498913
2-benzyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dimethylguanidine
CID 111087541
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111087443
3-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424864
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111087503

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111087496) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is COc1c(C)cnc(CN=C(N(C)C)N(C)C)c1C.I.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is HWKVLDDIWZGOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.HI/c1-10-8-15-12(11(2)13(10)19-7)9-16-14(17(3)4)18(5)6;/h8H,9H2,1-7H3;1H.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 392.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111087496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).