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

C12H28N4 — CID 62362166

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN(C(C)C)C(C)C
InChIInChI=1S/C12H28N4/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6/h9-11H,7-8H2,1-6H3,(H3,13,14,15)
InChIKeyWBXGPJINJMSHNO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

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

2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine (PubChem CID 62362166) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine
PubChem CID62362166
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN(C(C)C)C(C)C
InChIInChI=1S/C12H28N4/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6/h9-11H,7-8H2,1-6H3,(H3,13,14,15)
InChIKeyWBXGPJINJMSHNO-UHFFFAOYSA-N
XLogP1.42
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
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-propan-2-ylguanidine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine (CID 62362166) is 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine?
The InChIKey is WBXGPJINJMSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6/h9-11H,7-8H2,1-6H3,(H3,13,14,15).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine?
2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.42, 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-propan-2-ylguanidine is sourced from PubChem (CID 62362166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).