2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide

C15H26IN3 — CID 111180480

IUPAC2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1cccc(C)c1)NCC(C)C.I
InChIInChI=1S/C15H25N3.HI/c1-12(2)11-18-15(16-4)17-9-8-14-7-5-6-13(3)10-14;/h5-7,10,12H,8-9,11H2,1-4H3,(H2,16,17,18);1H
InChIKeyOBSCASSWZRMOKB-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide

2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111180480) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111180480
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1cccc(C)c1)NCC(C)C.I
InChIInChI=1S/C15H25N3.HI/c1-12(2)11-18-15(16-4)17-9-8-14-7-5-6-13(3)10-14;/h5-7,10,12H,8-9,11H2,1-4H3,(H2,16,17,18);1H
InChIKeyOBSCASSWZRMOKB-UHFFFAOYSA-N
XLogP2.98
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.98
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-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111395844
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111606460
1-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111178642
2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257665
2-methyl-1-[2-(3-methylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376867
2-methyl-1-[(3-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111226213
1-(2-ethylbutyl)-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111778895
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111903643
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
2-methyl-1-[(3-methylphenyl)methyl]-3-propylguanidine
CID 111226214
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111699284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide (CID 111180480) is 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide is C/N=C(/NCCc1cccc(C)c1)NCC(C)C.I.
What is the InChIKey of 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is OBSCASSWZRMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-12(2)11-18-15(16-4)17-9-8-14-7-5-6-13(3)10-14;/h5-7,10,12H,8-9,11H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide?
2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylphenyl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).