2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide

C14H23IN4 — CID 110935374

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1.I
InChIInChI=1S/C14H22N4.HI/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyDINZDASKSKLUST-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.51
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide

2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide (PubChem CID 110935374) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
PubChem CID110935374
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1.I
InChIInChI=1S/C14H22N4.HI/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17);1H
InChIKeyDINZDASKSKLUST-UHFFFAOYSA-N
XLogP2.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
CID 110935375
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721686
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-[3-[benzyl(methyl)amino]butyl]-1-phenylguanidine;hydroiodide
CID 111549332
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-[2-(4-methylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110935137
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide (CID 110935374) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide is CC(C/N=C(\N)Nc1ccccc1)N(C)C1CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide?
The InChIKey is DINZDASKSKLUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c1-11(18(2)13-8-9-13)10-16-14(15)17-12-6-4-3-5-7-12;/h3-7,11,13H,8-10H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110935374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).