1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane

C16H29N — CID 163797591

IUPAC1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane
SMILESCC12CCCC(C)(CCC1)C1(C)CCN2CC1
InChIInChI=1S/C16H29N/c1-14-6-4-8-16(3,9-5-7-14)17-12-10-15(14,2)11-13-17/h4-13H2,1-3H3
InChIKeyNCEFMCPPPSPODR-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.22
Rot. Bonds

About 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane

1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane (PubChem CID 163797591) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane.

Molecular Properties

Compound Name1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane
PubChem CID163797591
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane
SMILESCC12CCCC(C)(CCC1)C1(C)CCN2CC1
InChIInChI=1S/C16H29N/c1-14-6-4-8-16(3,9-5-7-14)17-12-10-15(14,2)11-13-17/h4-13H2,1-3H3
InChIKeyNCEFMCPPPSPODR-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane?
The IUPAC name of 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane (CID 163797591) is 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane.
What is the SMILES notation for 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane?
The canonical SMILES for 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane is CC12CCCC(C)(CCC1)C1(C)CCN2CC1.
What is the InChIKey of 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane?
The InChIKey is NCEFMCPPPSPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-14-6-4-8-16(3,9-5-7-14)17-12-10-15(14,2)11-13-17/h4-13H2,1-3H3.
What are the key properties of 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane?
1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane has a molecular weight of 235.41 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane is sourced from PubChem (CID 163797591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).