1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide

C19H24IN3 — CID 110030871

IUPAC1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
SMILESCc1cccc(-c2cccc(C/N=C(\N)N(C)C3CC3)c2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-14-5-3-7-16(11-14)17-8-4-6-15(12-17)13-21-19(20)22(2)18-9-10-18;/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,20,21);1H
InChIKeySBWJAWFBGBJOPK-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.19
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 110030871) has the molecular formula C19H24IN3 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID110030871
Molecular FormulaC19H24IN3
Molecular Weight421.33 g/mol
Exact Mass421.10
IUPAC Name1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide
SMILESCc1cccc(-c2cccc(C/N=C(\N)N(C)C3CC3)c2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-14-5-3-7-16(11-14)17-8-4-6-15(12-17)13-21-19(20)22(2)18-9-10-18;/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,20,21);1H
InChIKeySBWJAWFBGBJOPK-UHFFFAOYSA-N
XLogP4.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.19
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-[(3-pyridin-2-ylphenyl)methyl]guanidine
CID 110031741
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
1-cyclopropyl-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029855
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
N-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 110030433
2-[3-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]phenoxy]acetamide
CID 110031073
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide (CID 110030871) is 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide is Cc1cccc(-c2cccc(C/N=C(\N)N(C)C3CC3)c2)c1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is SBWJAWFBGBJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.HI/c1-14-5-3-7-16(11-14)17-8-4-6-15(12-17)13-21-19(20)22(2)18-9-10-18;/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,20,21);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 421.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[[3-(3-methylphenyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 110030871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).