ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane

C10H21N — CID 168910371

IUPACethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CN1C[C@@]2(C)C[C@@]2(C)C1
InChIInChI=1S/C8H15N.C2H6/c1-7-4-8(7,2)6-9(3)5-7;1-2/h4-6H2,1-3H3;1-2H3/t7-,8+;
InChIKeyAARFSLLHTHMRTH-KVZVIFLMSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds

About ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane

ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 168910371) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID168910371
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CN1C[C@@]2(C)C[C@@]2(C)C1
InChIInChI=1S/C8H15N.C2H6/c1-7-4-8(7,2)6-9(3)5-7;1-2/h4-6H2,1-3H3;1-2H3/t7-,8+;
InChIKeyAARFSLLHTHMRTH-KVZVIFLMSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-Dimethylpropyl)-4-fluoro-4-methyl-2-azabicyclo[3.1.0]hexane
CID 117729940
(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 138636260
Ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 169175885
3-(2,2-Difluoroethyl)-1-methyl-3-azabicyclo[3.1.0]hexane
CID 169972036
2,8-Dimethyl-2,8-diazaspiro[4.5]decane
CID 22975631
3-[(1-Fluorocyclopropyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 130621010
2-Ethyl-8-methyl-2,8-diazaspiro[4.5]decane
CID 12371188
3-Butyl-3-azabicyclo[3.1.0]hexane
CID 13758768
1,2,3,4,5,6-Hexamethyl-3-azabicyclo[3.1.0]hexane
CID 18711341
N,N,1,3-tetramethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 20700264
3,6,6-Trimethyl-3-azabicyclo[3.1.0]hexane
CID 20702471
1,2,3,4,5,6,6-Heptamethyl-3-azabicyclo[3.1.0]hexane
CID 20728508

Frequently Asked Questions

What is the IUPAC name of ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane (CID 168910371) is ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane is CC.CN1C[C@@]2(C)C[C@@]2(C)C1.
What is the InChIKey of ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is AARFSLLHTHMRTH-KVZVIFLMSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-7-4-8(7,2)6-9(3)5-7;1-2/h4-6H2,1-3H3;1-2H3/t7-,8+;.
What are the key properties of ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane?
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 155.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 168910371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).