2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine

C17H37N3 — CID 12820362

IUPAC2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)N(C(=NC(C)(C)C)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C17H37N3/c1-12(2)19(13(3)4)16(18-17(9,10)11)20(14(5)6)15(7)8/h12-15H,1-11H3
InChIKeyKKGBNESHCVKVFZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.38
Rot. Bonds4

About 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine

2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine (PubChem CID 12820362) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine
PubChem CID12820362
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine
SMILESCC(C)N(C(=NC(C)(C)C)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C17H37N3/c1-12(2)19(13(3)4)16(18-17(9,10)11)20(14(5)6)15(7)8/h12-15H,1-11H3
InChIKeyKKGBNESHCVKVFZ-UHFFFAOYSA-N
XLogP4.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The IUPAC name of 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine (CID 12820362) is 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine.
What is the SMILES notation for 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The canonical SMILES for 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine is CC(C)N(C(=NC(C)(C)C)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine?
The InChIKey is KKGBNESHCVKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-12(2)19(13(3)4)16(18-17(9,10)11)20(14(5)6)15(7)8/h12-15H,1-11H3.
What are the key properties of 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine?
2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine has a molecular weight of 283.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,3,3-tetra(propan-2-yl)guanidine is sourced from PubChem (CID 12820362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).