1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)

C26H37IN4Pt — CID 54719324

IUPAC1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.[C-]#Cc1cc(CN(C)C)c(I)c(CN(C)C)c1.[Pt+2]
InChIInChI=1S/C14H18IN2.C12H19N2.Pt/c1-6-11-7-12(9-16(2)3)14(15)13(8-11)10-17(4)5;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h7-8H,9-10H2,2-5H3;5-7H,9-10H2,1-4H3;/q2*-1;+2
InChIKeyPIFKPHLXBGADGM-UHFFFAOYSA-N
MW727.59 g/mol
LogP3.96
Rot. Bonds8

About 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)

1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+) (PubChem CID 54719324) has the molecular formula C26H37IN4Pt and a molecular weight of 727.59 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+).

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)
PubChem CID54719324
Molecular FormulaC26H37IN4Pt
Molecular Weight727.59 g/mol
Exact Mass727.17
IUPAC Name1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)
SMILESCN(C)Cc1[c-]c(CN(C)C)ccc1.[C-]#Cc1cc(CN(C)C)c(I)c(CN(C)C)c1.[Pt+2]
InChIInChI=1S/C14H18IN2.C12H19N2.Pt/c1-6-11-7-12(9-16(2)3)14(15)13(8-11)10-17(4)5;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h7-8H,9-10H2,2-5H3;5-7H,9-10H2,1-4H3;/q2*-1;+2
InChIKeyPIFKPHLXBGADGM-UHFFFAOYSA-N
XLogP3.96
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500727.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

lithium 1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine
CID 15884419
chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
3-[(dimethylamino)methyl]-2-iodophenol
CID 135394008
chloropalladium(1+);N,N-dimethyl-1-(1H-naphthalen-1-id-2-yl)methanamine
CID 54682191
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
CID 138974220
CID 138974220
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;(8E)-3,14-dioxa-18-azabicyclo[14.3.1]icosa-1(20),8,16,18-tetraene-2,15-dione;platinum(2+);tetrafluoroborate
CID 11170222
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)?
The IUPAC name of 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+) (CID 54719324) is 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+).
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+) is CN(C)Cc1[c-]c(CN(C)C)ccc1.[C-]#Cc1cc(CN(C)C)c(I)c(CN(C)C)c1.[Pt+2].
What is the InChIKey of 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)?
The InChIKey is PIFKPHLXBGADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN2.C12H19N2.Pt/c1-6-11-7-12(9-16(2)3)14(15)13(8-11)10-17(4)5;1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;/h7-8H,9-10H2,2-5H3;5-7H,9-10H2,1-4H3;/q2*-1;+2.
What are the key properties of 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+)?
1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+) has a molecular weight of 727.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]-5-ethynyl-2-iodophenyl]-N,N-dimethylmethanamine;platinum(2+) is sourced from PubChem (CID 54719324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).