4-N-tritylcyclohexane-1,4-diamine

C25H28N2 — CID 18919397

IUPAC4-N-tritylcyclohexane-1,4-diamine
SMILESNC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2/c26-23-16-18-24(19-17-23)27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,26H2
InChIKeyKAXVJNSMSJCMTP-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.84
Rot. Bonds5

About 4-N-tritylcyclohexane-1,4-diamine

4-N-tritylcyclohexane-1,4-diamine (PubChem CID 18919397) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-N-tritylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tritylcyclohexane-1,4-diamine
PubChem CID18919397
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name4-N-tritylcyclohexane-1,4-diamine
SMILESNC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2/c26-23-16-18-24(19-17-23)27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,26H2
InChIKeyKAXVJNSMSJCMTP-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.84
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 4-N-tritylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-tritylcyclohexane-1,4-diamine (CID 18919397) is 4-N-tritylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tritylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tritylcyclohexane-1,4-diamine is NC1CCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-N-tritylcyclohexane-1,4-diamine?
The InChIKey is KAXVJNSMSJCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c26-23-16-18-24(19-17-23)27-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,26H2.
What are the key properties of 4-N-tritylcyclohexane-1,4-diamine?
4-N-tritylcyclohexane-1,4-diamine has a molecular weight of 356.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tritylcyclohexane-1,4-diamine is sourced from PubChem (CID 18919397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).