2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C15H25BrIN3 — CID 111096282

IUPAC2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(C)c1cccc(Br)c1)N(C)C.I
InChIInChI=1S/C15H24BrN3.HI/c1-15(2,12-8-7-9-13(16)10-12)11-17-14(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H
InChIKeyNCJWNKHUSCKQKC-UHFFFAOYSA-N
MW454.19 g/mol
LogP3.82
Rot. Bonds3

About 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111096282) has the molecular formula C15H25BrIN3 and a molecular weight of 454.19 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111096282
Molecular FormulaC15H25BrIN3
Molecular Weight454.19 g/mol
Exact Mass453.03
IUPAC Name2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCC(C)(C)c1cccc(Br)c1)N(C)C.I
InChIInChI=1S/C15H24BrN3.HI/c1-15(2,12-8-7-9-13(16)10-12)11-17-14(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H
InChIKeyNCJWNKHUSCKQKC-UHFFFAOYSA-N
XLogP3.82
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.19
LogP ≤ 53.82
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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Related Compounds

2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111096283
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
2-(3-bromophenyl)-2-methylpropane-1-sulfonic acid
CID 115053064
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111077400
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
3-(3-bromophenyl)-N-methanimidoyl-N,3-dimethylbutanimidamide
CID 178023092
2-[2-(3-tert-butylphenoxy)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111813089
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
2-(3-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263709
3-(3-bromophenyl)pentan-3-ol
CID 57443482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111096282) is 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCC(C)(C)c1cccc(Br)c1)N(C)C.I.
What is the InChIKey of 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is NCJWNKHUSCKQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3.HI/c1-15(2,12-8-7-9-13(16)10-12)11-17-14(18(3)4)19(5)6;/h7-10H,11H2,1-6H3;1H.
What are the key properties of 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 454.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111096282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).