2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide

C11H27IN4 — CID 111600581

IUPAC2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCCN(CC)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-5-8-15(6-2)9-7-13-11(12)14-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H
InChIKeyFFZLNGZFOPWSCF-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.65
Rot. Bonds7

About 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 111600581) has the molecular formula C11H27IN4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID111600581
Molecular FormulaC11H27IN4
Molecular Weight342.27 g/mol
Exact Mass342.13
IUPAC Name2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCCN(CC)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-5-8-15(6-2)9-7-13-11(12)14-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H
InChIKeyFFZLNGZFOPWSCF-UHFFFAOYSA-N
XLogP1.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.65
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'}

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Related Compounds

(4S)-1-[4-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]butyl]-4-butyl-4,5-dihydroimidazol-2-amine
CID 145963441
(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640806
2-methyl-1-[2-[[(E)-N'-methylcarbamimidoyl]-sec-butyl-amino]ethyl]-1-sec-butyl-guanidine
CID 469977
1,1-Diethyl-2,3-di(propan-2-yl)guanidine
CID 15827441
1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 138502581
2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
CID 174028362
1-Butan-2-yl-2-propylguanidine
CID 13600217
5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 14396516
Azanium;1,2,3-tri(propan-2-yl)guanidine;iodide
CID 139145548
(S)-5-(2-(dimethylamino)ethyl)-4,5-dihydro-1H-imidazol-2-amine dihydrobromide
CID 44571875
1-Ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471300
1-Ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471301

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (CID 111600581) is 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide is CCCN(CC)CC/N=C(\N)NC(C)C.I.
What is the InChIKey of 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is FFZLNGZFOPWSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.HI/c1-5-8-15(6-2)9-7-13-11(12)14-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H.
What are the key properties of 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 342.27 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111600581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).