2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine

C13H30N4 — CID 54104036

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)N(CCN=C(N(C)C)N(C)C)C(C)C
InChIInChI=1S/C13H30N4/c1-11(2)17(12(3)4)10-9-14-13(15(5)6)16(7)8/h11-12H,9-10H2,1-8H3
InChIKeyOJOXBHWZMXEING-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine

2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine (PubChem CID 54104036) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine
PubChem CID54104036
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine
SMILESCC(C)N(CCN=C(N(C)C)N(C)C)C(C)C
InChIInChI=1S/C13H30N4/c1-11(2)17(12(3)4)10-9-14-13(15(5)6)16(7)8/h11-12H,9-10H2,1-8H3
InChIKeyOJOXBHWZMXEING-UHFFFAOYSA-N
XLogP1.58
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
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]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine (CID 54104036) is 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine is CC(C)N(CCN=C(N(C)C)N(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is OJOXBHWZMXEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-11(2)17(12(3)4)10-9-14-13(15(5)6)16(7)8/h11-12H,9-10H2,1-8H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine?
2-[2-[di(propan-2-yl)amino]ethyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 242.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 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]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 54104036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).