2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide

C14H22IN3 — CID 111814605

IUPAC2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCC2CC2)cc1C.I
InChIInChI=1S/C14H21N3.HI/c1-10-3-6-13(9-11(10)2)17-14(15)16-8-7-12-4-5-12;/h3,6,9,12H,4-5,7-8H2,1-2H3,(H3,15,16,17);1H
InChIKeyLDVVIHFXSJAYFC-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide

2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide (PubChem CID 111814605) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
PubChem CID111814605
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCC2CC2)cc1C.I
InChIInChI=1S/C14H21N3.HI/c1-10-3-6-13(9-11(10)2)17-14(15)16-8-7-12-4-5-12;/h3,6,9,12H,4-5,7-8H2,1-2H3,(H3,15,16,17);1H
InChIKeyLDVVIHFXSJAYFC-UHFFFAOYSA-N
XLogP3.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.45
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'}

Analyze 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(2-cyclopropylethyl)guanidine
CID 119147887
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-(2-cyclopropylsulfonylethyl)-1-(3,4-dimethylphenyl)guanidine
CID 122099318
1-(3,4-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065327
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
1-(3-methylphenyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085378
2-(5-cyclohexyloxypentyl)-1-(3,4-dimethylphenyl)guanidine
CID 111808468
2-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814657
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111025065

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide (CID 111814605) is 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CCC2CC2)cc1C.I.
What is the InChIKey of 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The InChIKey is LDVVIHFXSJAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-10-3-6-13(9-11(10)2)17-14(15)16-8-7-12-4-5-12;/h3,6,9,12H,4-5,7-8H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).