3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine

C13H31N5 — CID 102999152

IUPAC3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(/NN)N(CC)CCCN(CC)CC
InChIInChI=1S/C13H31N5/c1-5-10-15-13(16-14)18(8-4)12-9-11-17(6-2)7-3/h5-12,14H2,1-4H3,(H,15,16)
InChIKeyLPWKUERGVWGZKX-UHFFFAOYSA-N
MW257.43 g/mol
LogP1.27
Rot. Bonds9

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

3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine (PubChem CID 102999152) has the molecular formula C13H31N5 and a molecular weight of 257.43 g/mol. Its IUPAC name is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine
PubChem CID102999152
Molecular FormulaC13H31N5
Molecular Weight257.43 g/mol
Exact Mass257.26
IUPAC Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine
SMILESCCC/N=C(/NN)N(CC)CCCN(CC)CC
InChIInChI=1S/C13H31N5/c1-5-10-15-13(16-14)18(8-4)12-9-11-17(6-2)7-3/h5-12,14H2,1-4H3,(H,15,16)
InChIKeyLPWKUERGVWGZKX-UHFFFAOYSA-N
XLogP1.27
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

3-Amino-1-ethyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884435
3-Amino-2-butyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884475
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
3-Amino-2-propan-2-yl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884481
3-Amino-2-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
3-Amino-1-methyl-2-propyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887039
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)hydrazine
CID 17856659
1-Amino-2-[3-(diethylamino)propyl]guanidine
CID 18960697
N-amino-N'-ethylpyrrolidine-1-carboximidamide
CID 22977259
1,1-Dimethyl-2-(1,2,3,4-tetramethyl-2,4-dihydro-1,3,5-triazin-6-yl)hydrazine
CID 68135075
1-Amino-2-[3-(diethylamino)propyl]guanidine;hydroiodide
CID 86619747

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine?
The IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine (CID 102999152) is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine.
What is the SMILES notation for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine?
The canonical SMILES for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine is CCC/N=C(/NN)N(CC)CCCN(CC)CC.
What is the InChIKey of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine?
The InChIKey is LPWKUERGVWGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5/c1-5-10-15-13(16-14)18(8-4)12-9-11-17(6-2)7-3/h5-12,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine?
3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine has a molecular weight of 257.43 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine is sourced from PubChem (CID 102999152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).