1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide

C14H22IN3 — CID 110029929

IUPAC1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
SMILESCc1ccc(C/N=C(\N)N(C)C2CC2)c(C)c1.I
InChIInChI=1S/C14H21N3.HI/c1-10-4-5-12(11(2)8-10)9-16-14(15)17(3)13-6-7-13;/h4-5,8,13H,6-7,9H2,1-3H3,(H2,15,16);1H
InChIKeyBZGZAYRGLWBASF-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.83
Rot. Bonds3

About 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide (PubChem CID 110029929) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
PubChem CID110029929
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
SMILESCc1ccc(C/N=C(\N)N(C)C2CC2)c(C)c1.I
InChIInChI=1S/C14H21N3.HI/c1-10-4-5-12(11(2)8-10)9-16-14(15)17(3)13-6-7-13;/h4-5,8,13H,6-7,9H2,1-3H3,(H2,15,16);1H
InChIKeyBZGZAYRGLWBASF-UHFFFAOYSA-N
XLogP2.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
CID 110030871
2-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031837
methyl N'-[(2,4-dimethylphenyl)methyl]carbamimidothioate
CID 130705429
2-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-methylguanidine
CID 110029810
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-cyclopropyl-1-methyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110030335
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide (CID 110029929) is 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide is Cc1ccc(C/N=C(\N)N(C)C2CC2)c(C)c1.I.
What is the InChIKey of 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide?
The InChIKey is BZGZAYRGLWBASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-10-4-5-12(11(2)8-10)9-16-14(15)17(3)13-6-7-13;/h4-5,8,13H,6-7,9H2,1-3H3,(H2,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).