1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine

C18H20N4 — CID 75482232

IUPAC1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC#Cc1ccccc1
InChIInChI=1S/C18H20N4/c1-2-19-18(22-15-17-12-6-7-13-20-17)21-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,14-15H2,1H3,(H2,19,21,22)
InChIKeyMAGQZBJKFNNFNB-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.19
Rot. Bonds4

About 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine

1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 75482232) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID75482232
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCC#Cc1ccccc1
InChIInChI=1S/C18H20N4/c1-2-19-18(22-15-17-12-6-7-13-20-17)21-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,14-15H2,1H3,(H2,19,21,22)
InChIKeyMAGQZBJKFNNFNB-UHFFFAOYSA-N
XLogP2.19
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.19
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
1-ethyl-3-pent-3-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111587968
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968748
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968286
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970221
1-ethyl-3-[4-(N-methylanilino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110967658
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969992

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine (CID 75482232) is 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCC#Cc1ccccc1.
What is the InChIKey of 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is MAGQZBJKFNNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-19-18(22-15-17-12-6-7-13-20-17)21-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,14-15H2,1H3,(H2,19,21,22).
What are the key properties of 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 292.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-phenylprop-2-ynyl)-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 75482232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).