(6S)-1,5-diazabicyclo[4.3.1]decane

C8H16N2 — CID 118586261

IUPAC(6S)-1,5-diazabicyclo[4.3.1]decane
SMILESC1CN[C@H]2CCCN(C1)C2
InChIInChI=1S/C8H16N2/c1-3-8-7-10(5-1)6-2-4-9-8/h8-9H,1-7H2/t8-/m0/s1
InChIKeyYHMNABUJNWTKBZ-QMMMGPOBSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

About (6S)-1,5-diazabicyclo[4.3.1]decane

(6S)-1,5-diazabicyclo[4.3.1]decane (PubChem CID 118586261) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (6S)-1,5-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name(6S)-1,5-diazabicyclo[4.3.1]decane
PubChem CID118586261
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(6S)-1,5-diazabicyclo[4.3.1]decane
SMILESC1CN[C@H]2CCCN(C1)C2
InChIInChI=1S/C8H16N2/c1-3-8-7-10(5-1)6-2-4-9-8/h8-9H,1-7H2/t8-/m0/s1
InChIKeyYHMNABUJNWTKBZ-QMMMGPOBSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,5-diazabicyclo[4.3.1]decane?
The IUPAC name of (6S)-1,5-diazabicyclo[4.3.1]decane (CID 118586261) is (6S)-1,5-diazabicyclo[4.3.1]decane.
What is the SMILES notation for (6S)-1,5-diazabicyclo[4.3.1]decane?
The canonical SMILES for (6S)-1,5-diazabicyclo[4.3.1]decane is C1CN[C@H]2CCCN(C1)C2.
What is the InChIKey of (6S)-1,5-diazabicyclo[4.3.1]decane?
The InChIKey is YHMNABUJNWTKBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8-7-10(5-1)6-2-4-9-8/h8-9H,1-7H2/t8-/m0/s1.
What are the key properties of (6S)-1,5-diazabicyclo[4.3.1]decane?
(6S)-1,5-diazabicyclo[4.3.1]decane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,5-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 118586261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).