2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

C15H24IN3 — CID 120671972

IUPAC2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCC[C@@H]1C[C@H]1/N=C(\N)Nc1cccc(C(C)C)c1.I
InChIInChI=1S/C15H23N3.HI/c1-4-11-9-14(11)18-15(16)17-13-7-5-6-12(8-13)10(2)3;/h5-8,10-11,14H,4,9H2,1-3H3,(H3,16,17,18);1H/t11-,14-;/m1./s1
InChIKeyVIQHHFNFEDZMCI-GBWFEORMSA-N
MW373.28 g/mol
LogP3.95
Rot. Bonds4

About 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (PubChem CID 120671972) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
PubChem CID120671972
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCC[C@@H]1C[C@H]1/N=C(\N)Nc1cccc(C(C)C)c1.I
InChIInChI=1S/C15H23N3.HI/c1-4-11-9-14(11)18-15(16)17-13-7-5-6-12(8-13)10(2)3;/h5-8,10-11,14H,4,9H2,1-3H3,(H3,16,17,18);1H/t11-,14-;/m1./s1
InChIKeyVIQHHFNFEDZMCI-GBWFEORMSA-N
XLogP3.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.95
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-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)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

2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-[(1-hydroxycyclopentyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111088658
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 110033056
2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (CID 120671972) is 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide is CC[C@@H]1C[C@H]1/N=C(\N)Nc1cccc(C(C)C)c1.I.
What is the InChIKey of 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The InChIKey is VIQHHFNFEDZMCI-GBWFEORMSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-4-11-9-14(11)18-15(16)17-13-7-5-6-12(8-13)10(2)3;/h5-8,10-11,14H,4,9H2,1-3H3,(H3,16,17,18);1H/t11-,14-;/m1./s1.
What are the key properties of 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 120671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).