ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

C15H30N2 — CID 166478781

IUPACethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC.CCC1CCN(CC2[C@H]3CNC[C@@H]23)CC1
InChIInChI=1S/C13H24N2.C2H6/c1-2-10-3-5-15(6-4-10)9-13-11-7-14-8-12(11)13;1-2/h10-14H,2-9H2,1H3;1-2H3/t11-,12+,13?;
InChIKeyNXQNOOMNWHOMQK-KOQCZNHOSA-N
MW238.42 g/mol
LogP2.60
Rot. Bonds3

About ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 166478781) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID166478781
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC.CCC1CCN(CC2[C@H]3CNC[C@@H]23)CC1
InChIInChI=1S/C13H24N2.C2H6/c1-2-10-3-5-15(6-4-10)9-13-11-7-14-8-12(11)13;1-2/h10-14H,2-9H2,1H3;1-2H3/t11-,12+,13?;
InChIKeyNXQNOOMNWHOMQK-KOQCZNHOSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1,4-diethylpiperidine;ethane
CID 143709904
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
3-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 164846388
ethane;1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]propan-2-one
CID 178000200
1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)piperidin-3-ol
CID 83818752
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
1,3-diethylpyrrolidine;ethane
CID 145103245

Frequently Asked Questions

What is the IUPAC name of ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 166478781) is ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is CC.CCC1CCN(CC2[C@H]3CNC[C@@H]23)CC1.
What is the InChIKey of ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is NXQNOOMNWHOMQK-KOQCZNHOSA-N. The full InChI is InChI=1S/C13H24N2.C2H6/c1-2-10-3-5-15(6-4-10)9-13-11-7-14-8-12(11)13;1-2/h10-14H,2-9H2,1H3;1-2H3/t11-,12+,13?;.
What are the key properties of ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 238.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166478781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).