3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane

C12H24N2 — CID 170315477

IUPAC3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCCC(CC)N1CC2CC(C1)N2
InChIInChI=1S/C12H24N2/c1-3-5-6-12(4-2)14-8-10-7-11(9-14)13-10/h10-13H,3-9H2,1-2H3
InChIKeyFDLVSAWIBMLEKY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds5

About 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane

3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 170315477) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID170315477
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCCC(CC)N1CC2CC(C1)N2
InChIInChI=1S/C12H24N2/c1-3-5-6-12(4-2)14-8-10-7-11(9-14)13-10/h10-13H,3-9H2,1-2H3
InChIKeyFDLVSAWIBMLEKY-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-octan-4-yl-3-propylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane (CID 170315477) is 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane is CCCCC(CC)N1CC2CC(C1)N2.
What is the InChIKey of 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is FDLVSAWIBMLEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-6-12(4-2)14-8-10-7-11(9-14)13-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane?
3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 196.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-3-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 170315477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).