(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene

C10H15N — CID 163915833

IUPAC(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene
SMILESC[C@H]1CCC=C2C=NC1(C)C2
InChIInChI=1S/C10H15N/c1-8-4-3-5-9-6-10(8,2)11-7-9/h5,7-8H,3-4,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyQWDXPBHYLSMOLT-PEHGTWAWSA-N
MW149.24 g/mol
LogP2.58
Rot. Bonds

About (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene

(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene (PubChem CID 163915833) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene.

Molecular Properties

Compound Name(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene
PubChem CID163915833
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene
SMILESC[C@H]1CCC=C2C=NC1(C)C2
InChIInChI=1S/C10H15N/c1-8-4-3-5-9-6-10(8,2)11-7-9/h5,7-8H,3-4,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyQWDXPBHYLSMOLT-PEHGTWAWSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene?
The IUPAC name of (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene (CID 163915833) is (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene.
What is the SMILES notation for (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene?
The canonical SMILES for (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene is C[C@H]1CCC=C2C=NC1(C)C2.
What is the InChIKey of (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene?
The InChIKey is QWDXPBHYLSMOLT-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-3-5-9-6-10(8,2)11-7-9/h5,7-8H,3-4,6H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene?
(5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene has a molecular weight of 149.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6-dimethyl-7-azabicyclo[4.2.1]nona-1,7-diene is sourced from PubChem (CID 163915833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).