1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine

C17H33N5O — CID 109469992

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCN2CCN(C(C)=O)CC2)CCC1
InChIInChI=1S/C17H33N5O/c1-4-17(6-5-7-17)14-20-16(18-3)19-8-9-21-10-12-22(13-11-21)15(2)23/h4-14H2,1-3H3,(H2,18,19,20)
InChIKeyMGFKKCVVTBLYRV-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine

1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (PubChem CID 109469992) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
PubChem CID109469992
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCN2CCN(C(C)=O)CC2)CCC1
InChIInChI=1S/C17H33N5O/c1-4-17(6-5-7-17)14-20-16(18-3)19-8-9-21-10-12-22(13-11-21)15(2)23/h4-14H2,1-3H3,(H2,18,19,20)
InChIKeyMGFKKCVVTBLYRV-UHFFFAOYSA-N
XLogP0.90
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.90
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-[(1-ethylcyclobutyl)methyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109469670
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473413
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110977398
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111867850
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473412
methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 109470016
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(3-cyclohexylpropyl)-2-methylguanidine
CID 111947273
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470244
2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109469065
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (CID 109469992) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is CCC1(CN/C(=N\C)NCCN2CCN(C(C)=O)CC2)CCC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The InChIKey is MGFKKCVVTBLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-4-17(6-5-7-17)14-20-16(18-3)19-8-9-21-10-12-22(13-11-21)15(2)23/h4-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine has a molecular weight of 323.49 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is sourced from PubChem (CID 109469992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).