1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine

C16H23N5 — CID 110926423

IUPAC1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESCCNC(=NCCNc1ccc2ccccc2n1)NCC
InChIInChI=1S/C16H23N5/c1-3-17-16(18-4-2)20-12-11-19-15-10-9-13-7-5-6-8-14(13)21-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyDMXVCWJOGDKGFO-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.22
Rot. Bonds6

About 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine

1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine (PubChem CID 110926423) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
PubChem CID110926423
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESCCNC(=NCCNc1ccc2ccccc2n1)NCC
InChIInChI=1S/C16H23N5/c1-3-17-16(18-4-2)20-12-11-19-15-10-9-13-7-5-6-8-14(13)21-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyDMXVCWJOGDKGFO-UHFFFAOYSA-N
XLogP2.22
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(4-methylsulfanylbutyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111626337
1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111904492
1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257215
1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111187072
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111605332
N-tert-butyl-2-[[ethylamino-[2-(quinolin-2-ylamino)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382928
1-tert-butyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111079534
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111705388
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111313175
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
N-dodecylquinolin-2-amine
CID 160510159
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine (CID 110926423) is 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine is CCNC(=NCCNc1ccc2ccccc2n1)NCC.
What is the InChIKey of 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine?
The InChIKey is DMXVCWJOGDKGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-17-16(18-4-2)20-12-11-19-15-10-9-13-7-5-6-8-14(13)21-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)(H2,17,18,20).
What are the key properties of 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine?
1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine has a molecular weight of 285.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 110926423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).