ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

C13H27N — CID 177191821

IUPACethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCC.CCC1CC2CC1CN2C(C)C
InChIInChI=1S/C11H21N.C2H6/c1-4-9-5-11-6-10(9)7-12(11)8(2)3;1-2/h8-11H,4-7H2,1-3H3;1-2H3
InChIKeyLSQZQFMCTCAGRM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (PubChem CID 177191821) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
PubChem CID177191821
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
SMILESCC.CCC1CC2CC1CN2C(C)C
InChIInChI=1S/C11H21N.C2H6/c1-4-9-5-11-6-10(9)7-12(11)8(2)3;1-2/h8-11H,4-7H2,1-3H3;1-2H3
InChIKeyLSQZQFMCTCAGRM-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
CID 169194158
ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 170980461
(1S,4R,5R)-2-[(1-ethylcyclopropyl)methyl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane
CID 171657180
(4R)-4-ethyl-2-propan-2-yl-2,3-diazabicyclo[3.1.1]heptane
CID 178104352
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (CID 177191821) is ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is CC.CCC1CC2CC1CN2C(C)C.
What is the InChIKey of ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
The InChIKey is LSQZQFMCTCAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-4-9-5-11-6-10(9)7-12(11)8(2)3;1-2/h8-11H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?
ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 177191821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).