1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide

C14H18IN3 — CID 110918471

IUPAC1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc2ccccc2c1.I
InChIInChI=1S/C14H17N3.HI/c1-15-14(16-2)17-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3,(H2,15,16,17);1H
InChIKeyMUXIFZDLKXOKEO-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.75
Rot. Bonds2

About 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide

1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110918471) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
PubChem CID110918471
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC Name1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc2ccccc2c1.I
InChIInChI=1S/C14H17N3.HI/c1-15-14(16-2)17-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3,(H2,15,16,17);1H
InChIKeyMUXIFZDLKXOKEO-UHFFFAOYSA-N
XLogP2.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
CID 110952320
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111200735
N,N-dimethyl-4-[[[N'-methyl-N-(naphthalen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111874361
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111213382
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110893194
2-methyl-1-(2-morpholin-4-ylethyl)-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051711
2-methyl-1-(naphthalen-2-ylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013378
1,2-dimethyl-3-[(2-methyl-1H-indol-5-yl)methyl]guanidine
CID 166192902
2-methyl-1-(naphthalen-2-ylmethyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111415029
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(naphthalen-2-ylmethyl)guanidine
CID 111613870
2-methyl-1-(2-naphthalen-2-ylethyl)-3-propylguanidine;hydroiodide
CID 111226611

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide (CID 110918471) is 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NC)NCc1ccc2ccccc2c1.I.
What is the InChIKey of 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is MUXIFZDLKXOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.HI/c1-15-14(16-2)17-10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide?
1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 355.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110918471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).