1-amino-3-ethyl-2-(2-phenylethyl)guanidine

C11H18N4 — CID 116512277

IUPAC1-amino-3-ethyl-2-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccc1)NN
InChIInChI=1S/C11H18N4/c1-2-13-11(15-12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9,12H2,1H3,(H2,13,14,15)
InChIKeyUMNBGAOUPBHWCE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.66
Rot. Bonds4

About 1-amino-3-ethyl-2-(2-phenylethyl)guanidine

1-amino-3-ethyl-2-(2-phenylethyl)guanidine (PubChem CID 116512277) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(2-phenylethyl)guanidine
PubChem CID116512277
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-amino-3-ethyl-2-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccc1)NN
InChIInChI=1S/C11H18N4/c1-2-13-11(15-12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9,12H2,1H3,(H2,13,14,15)
InChIKeyUMNBGAOUPBHWCE-UHFFFAOYSA-N
XLogP0.66
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
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-3-(1-methoxypropan-2-yl)-2-(3-phenylpropyl)guanidine
CID 111237435
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171873
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(2-phenylethyl)guanidine (CID 116512277) is 1-amino-3-ethyl-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(2-phenylethyl)guanidine is CCN/C(=N\CCc1ccccc1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(2-phenylethyl)guanidine?
The InChIKey is UMNBGAOUPBHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-13-11(15-12)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-ethyl-2-(2-phenylethyl)guanidine?
1-amino-3-ethyl-2-(2-phenylethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 116512277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).