2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine

C11H26N4 — CID 62361945

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCN(C(C)C)C(C)C
InChIInChI=1S/C11H26N4/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H3,12,13,14)
InChIKeyVGEHKKSEPXXFOU-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine

2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine (PubChem CID 62361945) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine
PubChem CID62361945
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CCN(C(C)C)C(C)C
InChIInChI=1S/C11H26N4/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H3,12,13,14)
InChIKeyVGEHKKSEPXXFOU-UHFFFAOYSA-N
XLogP1.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine (CID 62361945) is 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine is CCN/C(N)=N/CCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine?
The InChIKey is VGEHKKSEPXXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3,(H3,12,13,14).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine?
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine has a molecular weight of 214.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine is sourced from PubChem (CID 62361945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).