1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide

C15H31IN4 — CID 110925393

IUPAC1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
SMILESCC1CCN(C(C/N=C(\N)NC2CC2)C(C)C)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-11(2)14(19-8-6-12(3)7-9-19)10-17-15(16)18-13-4-5-13;/h11-14H,4-10H2,1-3H3,(H3,16,17,18);1H
InChIKeyHUEMVGBSFZFQFQ-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.43
Rot. Bonds5

About 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide

1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide (PubChem CID 110925393) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
PubChem CID110925393
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
SMILESCC1CCN(C(C/N=C(\N)NC2CC2)C(C)C)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-11(2)14(19-8-6-12(3)7-9-19)10-17-15(16)18-13-4-5-13;/h11-14H,4-10H2,1-3H3,(H3,16,17,18);1H
InChIKeyHUEMVGBSFZFQFQ-UHFFFAOYSA-N
XLogP2.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.43
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

1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110912531
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 110912532
1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111055057
ethyl 4-[[N'-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111086048
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111598615
2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111055046
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide (CID 110925393) is 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide is CC1CCN(C(C/N=C(\N)NC2CC2)C(C)C)CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The InChIKey is HUEMVGBSFZFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-11(2)14(19-8-6-12(3)7-9-19)10-17-15(16)18-13-4-5-13;/h11-14H,4-10H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide is sourced from PubChem (CID 110925393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).