1,1,2-tris(2,2-dimethylpropyl)guanidine

C16H35N3 — CID 23103984

IUPAC1,1,2-tris(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)C/N=C(\N)N(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H35N3/c1-14(2,3)10-18-13(17)19(11-15(4,5)6)12-16(7,8)9/h10-12H2,1-9H3,(H2,17,18)
InChIKeyXDGYOCJKKUUFJA-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.74
Rot. Bonds3

About 1,1,2-tris(2,2-dimethylpropyl)guanidine

1,1,2-tris(2,2-dimethylpropyl)guanidine (PubChem CID 23103984) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1,1,2-tris(2,2-dimethylpropyl)guanidine.

Molecular Properties

Compound Name1,1,2-tris(2,2-dimethylpropyl)guanidine
PubChem CID23103984
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1,1,2-tris(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)C/N=C(\N)N(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H35N3/c1-14(2,3)10-18-13(17)19(11-15(4,5)6)12-16(7,8)9/h10-12H2,1-9H3,(H2,17,18)
InChIKeyXDGYOCJKKUUFJA-UHFFFAOYSA-N
XLogP3.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 1,1,2-tris(2,2-dimethylpropyl)guanidine?
The IUPAC name of 1,1,2-tris(2,2-dimethylpropyl)guanidine (CID 23103984) is 1,1,2-tris(2,2-dimethylpropyl)guanidine.
What is the SMILES notation for 1,1,2-tris(2,2-dimethylpropyl)guanidine?
The canonical SMILES for 1,1,2-tris(2,2-dimethylpropyl)guanidine is CC(C)(C)C/N=C(\N)N(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 1,1,2-tris(2,2-dimethylpropyl)guanidine?
The InChIKey is XDGYOCJKKUUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2,3)10-18-13(17)19(11-15(4,5)6)12-16(7,8)9/h10-12H2,1-9H3,(H2,17,18).
What are the key properties of 1,1,2-tris(2,2-dimethylpropyl)guanidine?
1,1,2-tris(2,2-dimethylpropyl)guanidine has a molecular weight of 269.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2,2-dimethylpropyl)guanidine is sourced from PubChem (CID 23103984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).