(1S,5S)-2,10-diazabicyclo[3.3.2]decane

C8H16N2 — CID 122672093

IUPAC(1S,5S)-2,10-diazabicyclo[3.3.2]decane
SMILESC1C[C@H]2CCN[C@@H](C1)CN2
InChIInChI=1S/C8H16N2/c1-2-7-4-5-9-8(3-1)6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyGHLQJBUBERYUCA-YUMQZZPRSA-N
MW140.23 g/mol
LogP0.49
Rot. Bonds

About (1S,5S)-2,10-diazabicyclo[3.3.2]decane

(1S,5S)-2,10-diazabicyclo[3.3.2]decane (PubChem CID 122672093) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5S)-2,10-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5S)-2,10-diazabicyclo[3.3.2]decane
PubChem CID122672093
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5S)-2,10-diazabicyclo[3.3.2]decane
SMILESC1C[C@H]2CCN[C@@H](C1)CN2
InChIInChI=1S/C8H16N2/c1-2-7-4-5-9-8(3-1)6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyGHLQJBUBERYUCA-YUMQZZPRSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2,10-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S,5S)-2,10-diazabicyclo[3.3.2]decane (CID 122672093) is (1S,5S)-2,10-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5S)-2,10-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S,5S)-2,10-diazabicyclo[3.3.2]decane is C1C[C@H]2CCN[C@@H](C1)CN2.
What is the InChIKey of (1S,5S)-2,10-diazabicyclo[3.3.2]decane?
The InChIKey is GHLQJBUBERYUCA-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-4-5-9-8(3-1)6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (1S,5S)-2,10-diazabicyclo[3.3.2]decane?
(1S,5S)-2,10-diazabicyclo[3.3.2]decane has a molecular weight of 140.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2,10-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 122672093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).