1,3-diethyl-2-(2-phenylethyl)guanidine

C13H21N3 — CID 110913976

IUPAC1,3-diethyl-2-(2-phenylethyl)guanidine
SMILESCCNC(=NCCc1ccccc1)NCC
InChIInChI=1S/C13H21N3/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,16)
InChIKeyCUWNCXRDPWWSJR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.80
Rot. Bonds5

About 1,3-diethyl-2-(2-phenylethyl)guanidine

1,3-diethyl-2-(2-phenylethyl)guanidine (PubChem CID 110913976) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(2-phenylethyl)guanidine
PubChem CID110913976
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,3-diethyl-2-(2-phenylethyl)guanidine
SMILESCCNC(=NCCc1ccccc1)NCC
InChIInChI=1S/C13H21N3/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,16)
InChIKeyCUWNCXRDPWWSJR-UHFFFAOYSA-N
XLogP1.80
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
N-[4-[2-[[ethylamino-(2-phenylethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111136364
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111134069
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111760825
1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136184
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
CID 111134273
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-phenylethyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(2-phenylethyl)guanidine (CID 110913976) is 1,3-diethyl-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(2-phenylethyl)guanidine is CCNC(=NCCc1ccccc1)NCC.
What is the InChIKey of 1,3-diethyl-2-(2-phenylethyl)guanidine?
The InChIKey is CUWNCXRDPWWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,14,15,16).
What are the key properties of 1,3-diethyl-2-(2-phenylethyl)guanidine?
1,3-diethyl-2-(2-phenylethyl)guanidine has a molecular weight of 219.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 110913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).