3-(aminomethyl)-N-tritylcyclohexan-1-amine

C26H30N2 — CID 139972353

IUPAC3-(aminomethyl)-N-tritylcyclohexan-1-amine
SMILESNCC1CCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H30N2/c27-20-21-11-10-18-25(19-21)28-26(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,28H,10-11,18-20,27H2
InChIKeyTTZLXOARIYBZOU-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.09
Rot. Bonds6

About 3-(aminomethyl)-N-tritylcyclohexan-1-amine

3-(aminomethyl)-N-tritylcyclohexan-1-amine (PubChem CID 139972353) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-(aminomethyl)-N-tritylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-tritylcyclohexan-1-amine
PubChem CID139972353
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name3-(aminomethyl)-N-tritylcyclohexan-1-amine
SMILESNCC1CCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H30N2/c27-20-21-11-10-18-25(19-21)28-26(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,28H,10-11,18-20,27H2
InChIKeyTTZLXOARIYBZOU-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(aminomethyl)-N-tritylcyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-N-tritylcyclohexan-1-amine (CID 139972353) is 3-(aminomethyl)-N-tritylcyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-tritylcyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-tritylcyclohexan-1-amine is NCC1CCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-N-tritylcyclohexan-1-amine?
The InChIKey is TTZLXOARIYBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c27-20-21-11-10-18-25(19-21)28-26(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,28H,10-11,18-20,27H2.
What are the key properties of 3-(aminomethyl)-N-tritylcyclohexan-1-amine?
3-(aminomethyl)-N-tritylcyclohexan-1-amine has a molecular weight of 370.54 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-tritylcyclohexan-1-amine is sourced from PubChem (CID 139972353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).