2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine

C17H30N4 — CID 111760825

IUPAC2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCNC(C)(C)C)NCCc1ccccc1
InChIInChI=1S/C17H30N4/c1-5-18-16(20-13-14-21-17(2,3)4)19-12-11-15-9-7-6-8-10-15/h6-10,21H,5,11-14H2,1-4H3,(H2,18,19,20)
InChIKeyGDOZXEJIPOZREA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine

2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine (PubChem CID 111760825) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
PubChem CID111760825
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
SMILESCCN/C(=N\CCNC(C)(C)C)NCCc1ccccc1
InChIInChI=1S/C17H30N4/c1-5-18-16(20-13-14-21-17(2,3)4)19-12-11-15-9-7-6-8-10-15/h6-10,21H,5,11-14H2,1-4H3,(H2,18,19,20)
InChIKeyGDOZXEJIPOZREA-UHFFFAOYSA-N
XLogP2.17
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-benzyl-1-[2-(tert-butylamino)ethyl]-3-ethylguanidine
CID 111758662
2-(2-cyclopropylethyl)-1-ethyl-3-(2-phenylethyl)guanidine
CID 111604893
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
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
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(2-phenylethyl)guanidine
CID 111135487
1-ethyl-2-(2-methylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136184
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111134069
N-[4-[2-[[ethylamino-(2-phenylethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111136364
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
1-(1-benzylpiperidin-4-yl)-2-[2-(tert-butylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 111759420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine (CID 111760825) is 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine is CCN/C(=N\CCNC(C)(C)C)NCCc1ccccc1.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine?
The InChIKey is GDOZXEJIPOZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-18-16(20-13-14-21-17(2,3)4)19-12-11-15-9-7-6-8-10-15/h6-10,21H,5,11-14H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine?
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine has a molecular weight of 290.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111760825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).