1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide

C20H26IN3 — CID 110029419

IUPAC1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCC(c1ccccc1)c1ccccc1)C1CC1.I
InChIInChI=1S/C20H25N3.HI/c1-23(18-12-13-18)20(21)22-15-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3,(H2,21,22);1H
InChIKeyLKHIPPVLXWDQDU-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.24
Rot. Bonds6

About 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide

1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide (PubChem CID 110029419) has the molecular formula C20H26IN3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
PubChem CID110029419
Molecular FormulaC20H26IN3
Molecular Weight435.35 g/mol
Exact Mass435.12
IUPAC Name1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CCC(c1ccccc1)c1ccccc1)C1CC1.I
InChIInChI=1S/C20H25N3.HI/c1-23(18-12-13-18)20(21)22-15-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3,(H2,21,22);1H
InChIKeyLKHIPPVLXWDQDU-UHFFFAOYSA-N
XLogP4.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide (CID 110029419) is 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide is CN(/C(N)=N/CCC(c1ccccc1)c1ccccc1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide?
The InChIKey is LKHIPPVLXWDQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.HI/c1-23(18-12-13-18)20(21)22-15-14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3,(H2,21,22);1H.
What are the key properties of 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).