1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine

C13H27N5 — CID 110980269

IUPAC1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-6-15-13(14-3)16-7-8-18-11-9-17(5-2)10-12-18/h4H,1,5-12H2,2-3H3,(H2,14,15,16)
InChIKeyNFITVEXTYQMHRM-UHFFFAOYSA-N
MW253.39 g/mol
LogP-0.03
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine

1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110980269) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110980269
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCN1CCN(CC)CC1
InChIInChI=1S/C13H27N5/c1-4-6-15-13(14-3)16-7-8-18-11-9-17(5-2)10-12-18/h4H,1,5-12H2,2-3H3,(H2,14,15,16)
InChIKeyNFITVEXTYQMHRM-UHFFFAOYSA-N
XLogP-0.03
TPSA42.90 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 ≤ 5-0.03
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

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
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136926188
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine
CID 136926189
2-(diethylamino)-6-(prop-2-enylamino)-1H-1,3,5-triazine-4-thione
CID 17841721
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
2-piperazin-1-yl-4H-pyrimidine-3-carbonitrile
CID 53892295
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-piperazin-2-yl-4H-pyrimidine
CID 57229577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine (CID 110980269) is 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCCN1CCN(CC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is NFITVEXTYQMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-4-6-15-13(14-3)16-7-8-18-11-9-17(5-2)10-12-18/h4H,1,5-12H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine?
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 253.39 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110980269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).