1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine

C17H35N5 — CID 110912532

IUPAC1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
SMILESCC(C)C(C/N=C(\N)NC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C17H35N5/c1-14(2)16(22-11-9-21(3)10-12-22)13-19-17(18)20-15-7-5-4-6-8-15/h14-16H,4-13H2,1-3H3,(H3,18,19,20)
InChIKeyKOTYZLKNOODKOS-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.50
Rot. Bonds5

About 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine

1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine (PubChem CID 110912532) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
PubChem CID110912532
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Name1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
SMILESCC(C)C(C/N=C(\N)NC1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C17H35N5/c1-14(2)16(22-11-9-21(3)10-12-22)13-19-17(18)20-15-7-5-4-6-8-15/h14-16H,4-13H2,1-3H3,(H3,18,19,20)
InChIKeyKOTYZLKNOODKOS-UHFFFAOYSA-N
XLogP1.50
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110925393
1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 111056027
1-cyclohexyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055183
1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055087
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110921200
1-cyclohexyl-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110959191
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111042356
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-ethylguanidine
CID 18727697

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine (CID 110912532) is 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine is CC(C)C(C/N=C(\N)NC1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine?
The InChIKey is KOTYZLKNOODKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-14(2)16(22-11-9-21(3)10-12-22)13-19-17(18)20-15-7-5-4-6-8-15/h14-16H,4-13H2,1-3H3,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine?
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine has a molecular weight of 309.50 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine is sourced from PubChem (CID 110912532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).