1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide

C8H22IN5 — CID 86619747

IUPAC1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)NN.I
InChIInChI=1S/C8H21N5.HI/c1-3-13(4-2)7-5-6-11-8(9)12-10;/h3-7,10H2,1-2H3,(H3,9,11,12);1H
InChIKeyMLKCOHQMACESQE-UHFFFAOYSA-N
MW315.20 g/mol
LogP0.11
Rot. Bonds6

About 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide

1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide (PubChem CID 86619747) has the molecular formula C8H22IN5 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
PubChem CID86619747
Molecular FormulaC8H22IN5
Molecular Weight315.20 g/mol
Exact Mass315.09
IUPAC Name1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)NN.I
InChIInChI=1S/C8H21N5.HI/c1-3-13(4-2)7-5-6-11-8(9)12-10;/h3-7,10H2,1-2H3,(H3,9,11,12);1H
InChIKeyMLKCOHQMACESQE-UHFFFAOYSA-N
XLogP0.11
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide (CID 86619747) is 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide is CCN(CC)CCC/N=C(\N)NN.I.
What is the InChIKey of 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide?
The InChIKey is MLKCOHQMACESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5.HI/c1-3-13(4-2)7-5-6-11-8(9)12-10;/h3-7,10H2,1-2H3,(H3,9,11,12);1H.
What are the key properties of 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide?
1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide has a molecular weight of 315.20 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 86619747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).