1,3,6-trimethyl-1,3,6-triazecane

C10H23N3 — CID 154027654

IUPAC1,3,6-trimethyl-1,3,6-triazecane
SMILESCN1CCCCN(C)CN(C)CC1
InChIInChI=1S/C10H23N3/c1-11-6-4-5-7-12(2)10-13(3)9-8-11/h4-10H2,1-3H3
InChIKeyOJTFMLOHQSSXSP-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.53
Rot. Bonds

About 1,3,6-trimethyl-1,3,6-triazecane

1,3,6-trimethyl-1,3,6-triazecane (PubChem CID 154027654) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,3,6-trimethyl-1,3,6-triazecane.

Molecular Properties

Compound Name1,3,6-trimethyl-1,3,6-triazecane
PubChem CID154027654
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,3,6-trimethyl-1,3,6-triazecane
SMILESCN1CCCCN(C)CN(C)CC1
InChIInChI=1S/C10H23N3/c1-11-6-4-5-7-12(2)10-13(3)9-8-11/h4-10H2,1-3H3
InChIKeyOJTFMLOHQSSXSP-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
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1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
ethane;bis(1-methylpyrrolidine)
CID 153385238
1,3-dimethyl-1,3-diazetidine;1,3-dimethyl-1,3-diazinane;1,4-dimethylpiperazine;methane
CID 157314435
1,3,5-trimethyl-1,3,5-triazecane
CID 154027653
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-methylpyrrolidine;phosphane
CID 159655297
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-1,3,6-triazecane?
The IUPAC name of 1,3,6-trimethyl-1,3,6-triazecane (CID 154027654) is 1,3,6-trimethyl-1,3,6-triazecane.
What is the SMILES notation for 1,3,6-trimethyl-1,3,6-triazecane?
The canonical SMILES for 1,3,6-trimethyl-1,3,6-triazecane is CN1CCCCN(C)CN(C)CC1.
What is the InChIKey of 1,3,6-trimethyl-1,3,6-triazecane?
The InChIKey is OJTFMLOHQSSXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-11-6-4-5-7-12(2)10-13(3)9-8-11/h4-10H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-1,3,6-triazecane?
1,3,6-trimethyl-1,3,6-triazecane has a molecular weight of 185.31 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-1,3,6-triazecane is sourced from PubChem (CID 154027654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).