N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine

C26H27N3 — CID 70043389

IUPACN-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H27N3/c1-21(2)27-18-25-19-29(20-28-25)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19-21,27H,18H2,1-2H3
InChIKeyKTXQXLBCDFZUMH-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.22
Rot. Bonds7

About N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine

N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 70043389) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
PubChem CID70043389
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC NameN-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H27N3/c1-21(2)27-18-25-19-29(20-28-25)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19-21,27H,18H2,1-2H3
InChIKeyKTXQXLBCDFZUMH-UHFFFAOYSA-N
XLogP5.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine (CID 70043389) is N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is KTXQXLBCDFZUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-21(2)27-18-25-19-29(20-28-25)26(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19-21,27H,18H2,1-2H3.
What are the key properties of N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine?
N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 381.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 70043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).