1,3,5,7,9-pentamethyl-1,3,7-triazecane

C12H27N3 — CID 154027656

IUPAC1,3,5,7,9-pentamethyl-1,3,7-triazecane
SMILESCC1CN(C)CC(C)CN(C)CN(C)C1
InChIInChI=1S/C12H27N3/c1-11-6-13(3)7-12(2)9-15(5)10-14(4)8-11/h11-12H,6-10H2,1-5H3
InChIKeyYVTXWJNZIRCQTK-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.03
Rot. Bonds

About 1,3,5,7,9-pentamethyl-1,3,7-triazecane

1,3,5,7,9-pentamethyl-1,3,7-triazecane (PubChem CID 154027656) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,3,5,7,9-pentamethyl-1,3,7-triazecane.

Molecular Properties

Compound Name1,3,5,7,9-pentamethyl-1,3,7-triazecane
PubChem CID154027656
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,3,5,7,9-pentamethyl-1,3,7-triazecane
SMILESCC1CN(C)CC(C)CN(C)CN(C)C1
InChIInChI=1S/C12H27N3/c1-11-6-13(3)7-12(2)9-15(5)10-14(4)8-11/h11-12H,6-10H2,1-5H3
InChIKeyYVTXWJNZIRCQTK-UHFFFAOYSA-N
XLogP1.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9-pentamethyl-1,3,7-triazecane?
The IUPAC name of 1,3,5,7,9-pentamethyl-1,3,7-triazecane (CID 154027656) is 1,3,5,7,9-pentamethyl-1,3,7-triazecane.
What is the SMILES notation for 1,3,5,7,9-pentamethyl-1,3,7-triazecane?
The canonical SMILES for 1,3,5,7,9-pentamethyl-1,3,7-triazecane is CC1CN(C)CC(C)CN(C)CN(C)C1.
What is the InChIKey of 1,3,5,7,9-pentamethyl-1,3,7-triazecane?
The InChIKey is YVTXWJNZIRCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11-6-13(3)7-12(2)9-15(5)10-14(4)8-11/h11-12H,6-10H2,1-5H3.
What are the key properties of 1,3,5,7,9-pentamethyl-1,3,7-triazecane?
1,3,5,7,9-pentamethyl-1,3,7-triazecane has a molecular weight of 213.37 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9-pentamethyl-1,3,7-triazecane is sourced from PubChem (CID 154027656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).