2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine

C14H32N4 — CID 110966408

IUPAC2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine
SMILESCCN/C(=N\CCN(C)C(C)CC)NC(C)(C)C
InChIInChI=1S/C14H32N4/c1-8-12(3)18(7)11-10-16-13(15-9-2)17-14(4,5)6/h12H,8-11H2,1-7H3,(H2,15,16,17)
InChIKeyLCIWLOZQGWMNHG-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine

2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine (PubChem CID 110966408) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine
PubChem CID110966408
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine
SMILESCCN/C(=N\CCN(C)C(C)CC)NC(C)(C)C
InChIInChI=1S/C14H32N4/c1-8-12(3)18(7)11-10-16-13(15-9-2)17-14(4,5)6/h12H,8-11H2,1-7H3,(H2,15,16,17)
InChIKeyLCIWLOZQGWMNHG-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.07
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'}

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Related Compounds

1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224305
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193796
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781
1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110967375
1-tert-butyl-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110967286
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760
1-tert-butyl-3-ethyl-2-(2-thiomorpholin-4-ylethyl)guanidine
CID 119140088
1-tert-butyl-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 110967190
1-tert-butyl-3-ethyl-2-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119140087
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
CID 153452857
2-(3-butoxypropyl)-1-tert-butyl-3-ethylguanidine;hydroiodide
CID 110965863

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine?
The IUPAC name of 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine (CID 110966408) is 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine.
What is the SMILES notation for 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine?
The canonical SMILES for 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine is CCN/C(=N\CCN(C)C(C)CC)NC(C)(C)C.
What is the InChIKey of 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine?
The InChIKey is LCIWLOZQGWMNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-8-12(3)18(7)11-10-16-13(15-9-2)17-14(4,5)6/h12H,8-11H2,1-7H3,(H2,15,16,17).
What are the key properties of 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine?
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine has a molecular weight of 256.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butan-2-yl(methyl)amino]ethyl]-1-tert-butyl-3-ethylguanidine is sourced from PubChem (CID 110966408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).