1,3,5-trimethyl-1,3,5-triazecane

C10H23N3 — CID 154027653

IUPAC1,3,5-trimethyl-1,3,5-triazecane
SMILESCN1CCCCCN(C)CN(C)C1
InChIInChI=1S/C10H23N3/c1-11-7-5-4-6-8-12(2)10-13(3)9-11/h4-10H2,1-3H3
InChIKeyWZYVUAJTEGTDOQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.88
Rot. Bonds

About 1,3,5-trimethyl-1,3,5-triazecane

1,3,5-trimethyl-1,3,5-triazecane (PubChem CID 154027653) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-1,3,5-triazecane.

Molecular Properties

Compound Name1,3,5-trimethyl-1,3,5-triazecane
PubChem CID154027653
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,3,5-trimethyl-1,3,5-triazecane
SMILESCN1CCCCCN(C)CN(C)C1
InChIInChI=1S/C10H23N3/c1-11-7-5-4-6-8-12(2)10-13(3)9-11/h4-10H2,1-3H3
InChIKeyWZYVUAJTEGTDOQ-UHFFFAOYSA-N
XLogP0.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1,3,5-triazecane?
The IUPAC name of 1,3,5-trimethyl-1,3,5-triazecane (CID 154027653) is 1,3,5-trimethyl-1,3,5-triazecane.
What is the SMILES notation for 1,3,5-trimethyl-1,3,5-triazecane?
The canonical SMILES for 1,3,5-trimethyl-1,3,5-triazecane is CN1CCCCCN(C)CN(C)C1.
What is the InChIKey of 1,3,5-trimethyl-1,3,5-triazecane?
The InChIKey is WZYVUAJTEGTDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-11-7-5-4-6-8-12(2)10-13(3)9-11/h4-10H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-1,3,5-triazecane?
1,3,5-trimethyl-1,3,5-triazecane has a molecular weight of 185.31 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1,3,5-triazecane is sourced from PubChem (CID 154027653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).