2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine

C13H27N5 — CID 110927122

IUPAC2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)N1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16)
InChIKeySMYQWFWPLRURLQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.10
Rot. Bonds6

About 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine

2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (PubChem CID 110927122) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
PubChem CID110927122
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(C)N1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16)
InChIKeySMYQWFWPLRURLQ-UHFFFAOYSA-N
XLogP0.10
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376448
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376940
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
N'-propan-2-ylpiperazine-1-carboximidamide
CID 54317721
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine (CID 110927122) is 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(C)N1CCN(CC)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
The InChIKey is SMYQWFWPLRURLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-4-6-15-13(14)16-11-12(3)18-9-7-17(5-2)8-10-18/h4,12H,1,5-11H2,2-3H3,(H3,14,15,16).
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine?
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine has a molecular weight of 253.39 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 110927122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).