2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine

C16H29N5 — CID 111228303

IUPAC2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine
SMILESCCCN/C(=N/Cc1ccc(N(CC)CC)nc1)NCC
InChIInChI=1S/C16H29N5/c1-5-11-18-16(17-6-2)20-13-14-9-10-15(19-12-14)21(7-3)8-4/h9-10,12H,5-8,11,13H2,1-4H3,(H2,17,18,20)
InChIKeyAZFNHULIYPVPMF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds8

About 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine

2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine (PubChem CID 111228303) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine.

Molecular Properties

Compound Name2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine
PubChem CID111228303
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine
SMILESCCCN/C(=N/Cc1ccc(N(CC)CC)nc1)NCC
InChIInChI=1S/C16H29N5/c1-5-11-18-16(17-6-2)20-13-14-9-10-15(19-12-14)21(7-3)8-4/h9-10,12H,5-8,11,13H2,1-4H3,(H2,17,18,20)
InChIKeyAZFNHULIYPVPMF-UHFFFAOYSA-N
XLogP2.39
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
CID 111233257
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404508
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111653344
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967537
1-[3-(cyclopropylmethoxy)propyl]-2-[[6-(diethylamino)-3-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111391000
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109418017
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111535184
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-3-ethylguanidine
CID 111202776
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477511
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407673
1-[[[N'-[[6-(diethylamino)-3-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572063
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419992

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine?
The IUPAC name of 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine (CID 111228303) is 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine.
What is the SMILES notation for 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine?
The canonical SMILES for 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine is CCCN/C(=N/Cc1ccc(N(CC)CC)nc1)NCC.
What is the InChIKey of 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine?
The InChIKey is AZFNHULIYPVPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-11-18-16(17-6-2)20-13-14-9-10-15(19-12-14)21(7-3)8-4/h9-10,12H,5-8,11,13H2,1-4H3,(H2,17,18,20).
What are the key properties of 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine?
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine has a molecular weight of 291.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-propylguanidine is sourced from PubChem (CID 111228303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).