1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine

C17H35N5 — CID 110957278

IUPAC1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
SMILESCCN1CCN(C(C)CN/C(=N\C)NC2CCCCC2)CC1
InChIInChI=1S/C17H35N5/c1-4-21-10-12-22(13-11-21)15(2)14-19-17(18-3)20-16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeyQTTSGKZIFYAPRK-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.51
Rot. Bonds5

About 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine

1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine (PubChem CID 110957278) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
PubChem CID110957278
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Name1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
SMILESCCN1CCN(C(C)CN/C(=N\C)NC2CCCCC2)CC1
InChIInChI=1S/C17H35N5/c1-4-21-10-12-22(13-11-21)15(2)14-19-17(18-3)20-16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeyQTTSGKZIFYAPRK-UHFFFAOYSA-N
XLogP1.51
TPSA42.90 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 ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine (CID 110957278) is 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine is CCN1CCN(C(C)CN/C(=N\C)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine?
The InChIKey is QTTSGKZIFYAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-4-21-10-12-22(13-11-21)15(2)14-19-17(18-3)20-16-8-6-5-7-9-16/h15-16H,4-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine?
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine has a molecular weight of 309.50 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine is sourced from PubChem (CID 110957278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).