(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane

C9H17N — CID 155110799

IUPAC(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
SMILESCC1C(C)[C@@H]2CCCNC12
InChIInChI=1S/C9H17N/c1-6-7(2)9-8(6)4-3-5-10-9/h6-10H,3-5H2,1-2H3/t6?,7?,8-,9?/m0/s1
InChIKeyMMDQXJGJVKPOCH-HZMRZXPBSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds

About (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane

(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane (PubChem CID 155110799) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
PubChem CID155110799
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
SMILESCC1C(C)[C@@H]2CCCNC12
InChIInChI=1S/C9H17N/c1-6-7(2)9-8(6)4-3-5-10-9/h6-10H,3-5H2,1-2H3/t6?,7?,8-,9?/m0/s1
InChIKeyMMDQXJGJVKPOCH-HZMRZXPBSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-2-azabicyclo[4.1.0]heptane
CID 117045891
8-(2,3,4,5-tetramethylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 162503082
5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
CID 157051839
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane
CID 105430757
8-methyl-6-thia-10-azatricyclo[7.4.0.02,7]tridec-3-ene
CID 59121128
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
2-cycloheptyl-3-methylpiperidine
CID 84720602
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415

Frequently Asked Questions

What is the IUPAC name of (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane?
The IUPAC name of (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane (CID 155110799) is (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane.
What is the SMILES notation for (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane?
The canonical SMILES for (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane is CC1C(C)[C@@H]2CCCNC12.
What is the InChIKey of (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane?
The InChIKey is MMDQXJGJVKPOCH-HZMRZXPBSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7(2)9-8(6)4-3-5-10-9/h6-10H,3-5H2,1-2H3/t6?,7?,8-,9?/m0/s1.
What are the key properties of (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane?
(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane has a molecular weight of 139.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane is sourced from PubChem (CID 155110799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).