2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene

C12H25N3 — CID 6395702

IUPAC2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene
SMILESC/C1=N/CCCNCCCNC(C)(C)C1
InChIInChI=1S/C12H25N3/c1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11/h13,15H,4-10H2,1-3H3/b14-11-
InChIKeyUTGZNOWYIDVDGB-KAMYIIQDSA-N
MW211.35 g/mol
LogP1.59
Rot. Bonds

About 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene

2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene (PubChem CID 6395702) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene.

Molecular Properties

Compound Name2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene
PubChem CID6395702
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene
SMILESC/C1=N/CCCNCCCNC(C)(C)C1
InChIInChI=1S/C12H25N3/c1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11/h13,15H,4-10H2,1-3H3/b14-11-
InChIKeyUTGZNOWYIDVDGB-KAMYIIQDSA-N
XLogP1.59
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene?
The IUPAC name of 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene (CID 6395702) is 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene.
What is the SMILES notation for 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene?
The canonical SMILES for 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene is C/C1=N/CCCNCCCNC(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene?
The InChIKey is UTGZNOWYIDVDGB-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H25N3/c1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11/h13,15H,4-10H2,1-3H3/b14-11-.
What are the key properties of 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene?
2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene has a molecular weight of 211.35 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene is sourced from PubChem (CID 6395702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).