1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine

C10H23N3 — CID 59021726

IUPAC1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)8-13(7)9(11-4)12(5)6/h8H2,1-7H3/b11-9+
InChIKeyCIKPSOSARQPOSN-PKNBQFBNSA-N
MW185.31 g/mol
LogP1.51
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine

1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine (PubChem CID 59021726) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine
PubChem CID59021726
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine
SMILESC/N=C(\N(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C10H23N3/c1-10(2,3)8-13(7)9(11-4)12(5)6/h8H2,1-7H3/b11-9+
InChIKeyCIKPSOSARQPOSN-PKNBQFBNSA-N
XLogP1.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.51
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 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine (CID 59021726) is 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine is C/N=C(\N(C)C)N(C)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine?
The InChIKey is CIKPSOSARQPOSN-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(2,3)8-13(7)9(11-4)12(5)6/h8H2,1-7H3/b11-9+.
What are the key properties of 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine?
1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1,2,3,3-tetramethylguanidine is sourced from PubChem (CID 59021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).