1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide

C15H25IN4 — CID 110029505

IUPAC1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCN(CCC/N=C(\N)N(C)C1CC1)c1ccccc1.I
InChIInChI=1S/C15H24N4.HI/c1-18(13-7-4-3-5-8-13)12-6-11-17-15(16)19(2)14-9-10-14;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17);1H
InChIKeyBLIPLSFFJUIJLC-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.54
Rot. Bonds6

About 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide (PubChem CID 110029505) has the molecular formula C15H25IN4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
PubChem CID110029505
Molecular FormulaC15H25IN4
Molecular Weight388.30 g/mol
Exact Mass388.11
IUPAC Name1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCN(CCC/N=C(\N)N(C)C1CC1)c1ccccc1.I
InChIInChI=1S/C15H24N4.HI/c1-18(13-7-4-3-5-8-13)12-6-11-17-15(16)19(2)14-9-10-14;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17);1H
InChIKeyBLIPLSFFJUIJLC-UHFFFAOYSA-N
XLogP2.54
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-1-methyl-2-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 110029623
2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
CID 55159960
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
CID 110031138
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
CID 110029560
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110030946
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide (CID 110029505) is 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide is CN(CCC/N=C(\N)N(C)C1CC1)c1ccccc1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide?
The InChIKey is BLIPLSFFJUIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.HI/c1-18(13-7-4-3-5-8-13)12-6-11-17-15(16)19(2)14-9-10-14;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide has a molecular weight of 388.30 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110029505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).