2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide

C16H28IN3 — CID 111815533

IUPAC2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(C)Cc1ccccc1)N(C)C.I
InChIInChI=1S/C16H27N3.HI/c1-16(2,12-14-10-8-7-9-11-14)13-17-15(18(3)4)19(5)6;/h7-11H,12-13H2,1-6H3;1H
InChIKeyBTPNLXNUXOUVSO-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.35
Rot. Bonds4

About 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide

2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111815533) has the molecular formula C16H28IN3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111815533
Molecular FormulaC16H28IN3
Molecular Weight389.33 g/mol
Exact Mass389.13
IUPAC Name2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(C)Cc1ccccc1)N(C)C.I
InChIInChI=1S/C16H27N3.HI/c1-16(2,12-14-10-8-7-9-11-14)13-17-15(18(3)4)19(5)6;/h7-11H,12-13H2,1-6H3;1H
InChIKeyBTPNLXNUXOUVSO-UHFFFAOYSA-N
XLogP3.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111815533) is 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCC(C)(C)Cc1ccccc1)N(C)C.I.
What is the InChIKey of 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is BTPNLXNUXOUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3.HI/c1-16(2,12-14-10-8-7-9-11-14)13-17-15(18(3)4)19(5)6;/h7-11H,12-13H2,1-6H3;1H.
What are the key properties of 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 389.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111815533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).