1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

C14H30IN5 — CID 110980216

IUPAC1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C14H29N5.HI/c1-5-7-16-14(15-4)17-12-13(3)19-10-8-18(6-2)9-11-19;/h5,13H,1,6-12H2,2-4H3,(H2,15,16,17);1H
InChIKeyPIEAAJIFPFPFTA-UHFFFAOYSA-N
MW395.33 g/mol
LogP0.98
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980216) has the molecular formula C14H30IN5 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980216
Molecular FormulaC14H30IN5
Molecular Weight395.33 g/mol
Exact Mass395.15
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C14H29N5.HI/c1-5-7-16-14(15-4)17-12-13(3)19-10-8-18(6-2)9-11-19;/h5,13H,1,6-12H2,2-4H3,(H2,15,16,17);1H
InChIKeyPIEAAJIFPFPFTA-UHFFFAOYSA-N
XLogP0.98
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 50.98
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': 'iodine', '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-(1-prop-2-enylpiperidin-4-yl)guanidine;hydroiodide
CID 112031048
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
N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
CID 137139798
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
CID 142101601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110980216) is 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC(C)N1CCN(CC)CC1.I.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is PIEAAJIFPFPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5.HI/c1-5-7-16-14(15-4)17-12-13(3)19-10-8-18(6-2)9-11-19;/h5,13H,1,6-12H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 0.98, 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)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).