6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane

C17H34N2 — CID 167133560

IUPAC6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCCCCCC(CCCC)N1C2CNCC1C2
InChIInChI=1S/C17H34N2/c1-3-5-7-8-9-11-15(10-6-4-2)19-16-12-17(19)14-18-13-16/h15-18H,3-14H2,1-2H3
InChIKeyHABMWXIPYLETQT-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds10

About 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane

6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 167133560) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID167133560
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCCCCCC(CCCC)N1C2CNCC1C2
InChIInChI=1S/C17H34N2/c1-3-5-7-8-9-11-15(10-6-4-2)19-16-12-17(19)14-18-13-16/h15-18H,3-14H2,1-2H3
InChIKeyHABMWXIPYLETQT-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(1-tridecan-6-ylazetidin-3-yl)methanamine
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3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
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Frequently Asked Questions

What is the IUPAC name of 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane (CID 167133560) is 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane is CCCCCCCC(CCCC)N1C2CNCC1C2.
What is the InChIKey of 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is HABMWXIPYLETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-5-7-8-9-11-15(10-6-4-2)19-16-12-17(19)14-18-13-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane?
6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 266.47 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 167133560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).