1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide

C14H22IN3 — CID 110912213

IUPAC1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NC1CC1)c1ccccc1.I
InChIInChI=1S/C14H21N3.HI/c1-14(2,11-6-4-3-5-7-11)10-16-13(15)17-12-8-9-12;/h3-7,12H,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyQRYPIJCLCGQSBJ-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.65
Rot. Bonds4

About 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide

1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (PubChem CID 110912213) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
PubChem CID110912213
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NC1CC1)c1ccccc1.I
InChIInChI=1S/C14H21N3.HI/c1-14(2,11-6-4-3-5-7-11)10-16-13(15)17-12-8-9-12;/h3-7,12H,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyQRYPIJCLCGQSBJ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111598897
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110933882
N-cyclopropyl-4-[[N-ethyl-N'-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111948068
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062879
ethyl 4-[[N'-[2-(3-bromophenyl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111096287
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111599305
ethyl 4-[[N'-[2-(4-ethylphenyl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111859831

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (CID 110912213) is 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is CC(C)(C/N=C(\N)NC1CC1)c1ccccc1.I.
What is the InChIKey of 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is QRYPIJCLCGQSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-14(2,11-6-4-3-5-7-11)10-16-13(15)17-12-8-9-12;/h3-7,12H,8-10H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110912213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).