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

C8H21N5 — CID 18960697

IUPAC1-amino-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\N)NN
InChIInChI=1S/C8H21N5/c1-3-13(4-2)7-5-6-11-8(9)12-10/h3-7,10H2,1-2H3,(H3,9,11,12)
InChIKeyZBLJDUJECXQSAC-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.50
Rot. Bonds6

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

1-amino-2-[3-(diethylamino)propyl]guanidine (PubChem CID 18960697) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-amino-2-[3-(diethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[3-(diethylamino)propyl]guanidine
PubChem CID18960697
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name1-amino-2-[3-(diethylamino)propyl]guanidine
SMILESCCN(CC)CCC/N=C(\N)NN
InChIInChI=1S/C8H21N5/c1-3-13(4-2)7-5-6-11-8(9)12-10/h3-7,10H2,1-2H3,(H3,9,11,12)
InChIKeyZBLJDUJECXQSAC-UHFFFAOYSA-N
XLogP-0.50
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-[3-(dimethylamino)propyl]guanidine
CID 13505257
N-(3-dimethylaminopropyl)hydrazinecarboximidamide dihydrobromide
CID 13505258
1-Amino-2-[3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 14750560
1-Amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 14750562
1-Amino-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine;dihydrobromide
CID 14750563
1-Amino-2-[2-(diethylamino)ethyl]guanidine
CID 18960672
1-Amino-2-[3-(dimethylamino)propyl]guanidine;hydrate;dihydrobromide
CID 19882725
1-Amino-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 64873049
1-Amino-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 68875389
1-Amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
CID 86619747
Bis(2-butyl-2-ethylhydrazinyl)methylidene-dimethylazanium chloride
CID 157813697
1-Amino-2-[4-(dimethylamino)butyl]guanidine
CID 64866669

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(diethylamino)propyl]guanidine?
The IUPAC name of 1-amino-2-[3-(diethylamino)propyl]guanidine (CID 18960697) is 1-amino-2-[3-(diethylamino)propyl]guanidine.
What is the SMILES notation for 1-amino-2-[3-(diethylamino)propyl]guanidine?
The canonical SMILES for 1-amino-2-[3-(diethylamino)propyl]guanidine is CCN(CC)CCC/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[3-(diethylamino)propyl]guanidine?
The InChIKey is ZBLJDUJECXQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-3-13(4-2)7-5-6-11-8(9)12-10/h3-7,10H2,1-2H3,(H3,9,11,12).
What are the key properties of 1-amino-2-[3-(diethylamino)propyl]guanidine?
1-amino-2-[3-(diethylamino)propyl]guanidine has a molecular weight of 187.29 g/mol, XLogP of -0.50, 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 is sourced from PubChem (CID 18960697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).