3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane

C14H29N3 — CID 123468582

IUPAC3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane
SMILESCC1CCC2CCNCCNC(C)CN2CC1
InChIInChI=1S/C14H29N3/c1-12-3-4-14-5-7-15-8-9-16-13(2)11-17(14)10-6-12/h12-16H,3-11H2,1-2H3
InChIKeyQSWZTNJROGQSLV-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.45
Rot. Bonds

About 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane

3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane (PubChem CID 123468582) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane.

Molecular Properties

Compound Name3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane
PubChem CID123468582
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane
SMILESCC1CCC2CCNCCNC(C)CN2CC1
InChIInChI=1S/C14H29N3/c1-12-3-4-14-5-7-15-8-9-16-13(2)11-17(14)10-6-12/h12-16H,3-11H2,1-2H3
InChIKeyQSWZTNJROGQSLV-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
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1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
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Frequently Asked Questions

What is the IUPAC name of 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane?
The IUPAC name of 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane (CID 123468582) is 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane.
What is the SMILES notation for 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane?
The canonical SMILES for 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane is CC1CCC2CCNCCNC(C)CN2CC1.
What is the InChIKey of 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane?
The InChIKey is QSWZTNJROGQSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-3-4-14-5-7-15-8-9-16-13(2)11-17(14)10-6-12/h12-16H,3-11H2,1-2H3.
What are the key properties of 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane?
3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane has a molecular weight of 239.41 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dimethyl-1,4,7-triazabicyclo[8.5.0]pentadecane is sourced from PubChem (CID 123468582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).