4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine

C25H43ClN4 — CID 167222890

IUPAC4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCCCCCCC2)nc(C2CCCCCCCCCC2)n1
InChIInChI=1S/C25H43ClN4/c26-24-28-23(21-17-13-9-5-1-2-6-10-14-18-21)29-25(30-24)27-22-19-15-11-7-3-4-8-12-16-20-22/h21-22H,1-20H2,(H,27,28,29,30)
InChIKeyXPWZTCJYGJOMCN-UHFFFAOYSA-N
MW435.10 g/mol
LogP8.22
Rot. Bonds3

About 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine

4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine (PubChem CID 167222890) has the molecular formula C25H43ClN4 and a molecular weight of 435.10 g/mol. Its IUPAC name is 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
PubChem CID167222890
Molecular FormulaC25H43ClN4
Molecular Weight435.10 g/mol
Exact Mass434.32
IUPAC Name4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCCCCCCCC2)nc(C2CCCCCCCCCC2)n1
InChIInChI=1S/C25H43ClN4/c26-24-28-23(21-17-13-9-5-1-2-6-10-14-18-21)29-25(30-24)27-22-19-15-11-7-3-4-8-12-16-20-22/h21-22H,1-20H2,(H,27,28,29,30)
InChIKeyXPWZTCJYGJOMCN-UHFFFAOYSA-N
XLogP8.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.10
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine (CID 167222890) is 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine is Clc1nc(NC2CCCCCCCCCC2)nc(C2CCCCCCCCCC2)n1.
What is the InChIKey of 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine?
The InChIKey is XPWZTCJYGJOMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43ClN4/c26-24-28-23(21-17-13-9-5-1-2-6-10-14-18-21)29-25(30-24)27-22-19-15-11-7-3-4-8-12-16-20-22/h21-22H,1-20H2,(H,27,28,29,30).
What are the key properties of 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine?
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine has a molecular weight of 435.10 g/mol, XLogP of 8.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 167222890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).