2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C13H29IN4 — CID 110980186

IUPAC2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C)N(CC)CC)NCC.I
InChIInChI=1S/C13H28N4.HI/c1-6-10-15-13(14-7-2)16-11-12(5)17(8-3)9-4;/h6,12H,1,7-11H2,2-5H3,(H2,14,15,16);1H
InChIKeyINAGBIBPGXKGEN-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.08
Rot. Bonds8

About 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980186) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980186
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C)N(CC)CC)NCC.I
InChIInChI=1S/C13H28N4.HI/c1-6-10-15-13(14-7-2)16-11-12(5)17(8-3)9-4;/h6,12H,1,7-11H2,2-5H3,(H2,14,15,16);1H
InChIKeyINAGBIBPGXKGEN-UHFFFAOYSA-N
XLogP2.08
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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
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
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
N-[1-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69731760
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 110980186) is 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CC(C)N(CC)CC)NCC.I.
What is the InChIKey of 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is INAGBIBPGXKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-6-10-15-13(14-7-2)16-11-12(5)17(8-3)9-4;/h6,12H,1,7-11H2,2-5H3,(H2,14,15,16);1H.
What are the key properties of 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).