2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper

C14H24CuIN4 — CID 155798209

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper
SMILESCN(C)Cc1ccccc1N=C(N(C)C)N(C)C.[Cu]I
InChIInChI=1S/C14H24N4.Cu.HI/c1-16(2)11-12-9-7-8-10-13(12)15-14(17(3)4)18(5)6;;/h7-10H,11H2,1-6H3;;1H/q;+1;/p-1
InChIKeyDTVVDHUKUBSTJW-UHFFFAOYSA-M
MW438.82 g/mol
LogP2.74
Rot. Bonds3

About 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper

2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper (PubChem CID 155798209) has the molecular formula C14H24CuIN4 and a molecular weight of 438.82 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper
PubChem CID155798209
Molecular FormulaC14H24CuIN4
Molecular Weight438.82 g/mol
Exact Mass438.03
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper
SMILESCN(C)Cc1ccccc1N=C(N(C)C)N(C)C.[Cu]I
InChIInChI=1S/C14H24N4.Cu.HI/c1-16(2)11-12-9-7-8-10-13(12)15-14(17(3)4)18(5)6;;/h7-10H,11H2,1-6H3;;1H/q;+1;/p-1
InChIKeyDTVVDHUKUBSTJW-UHFFFAOYSA-M
XLogP2.74
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper (CID 155798209) is 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper is CN(C)Cc1ccccc1N=C(N(C)C)N(C)C.[Cu]I.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper?
The InChIKey is DTVVDHUKUBSTJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24N4.Cu.HI/c1-16(2)11-12-9-7-8-10-13(12)15-14(17(3)4)18(5)6;;/h7-10H,11H2,1-6H3;;1H/q;+1;/p-1.
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper?
2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper has a molecular weight of 438.82 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-1,1,3,3-tetramethylguanidine;iodocopper is sourced from PubChem (CID 155798209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).