ethane;3-ethylpyrrolidine;molecular hydrogen

C8H21N — CID 143963843

IUPACethane;3-ethylpyrrolidine;molecular hydrogen
SMILESCC.CCC1CCNC1.[H][H]
InChIInChI=1S/C6H13N.C2H6.H2/c1-2-6-3-4-7-5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H
InChIKeyZFOIESPXRSIQLB-UHFFFAOYSA-N
MW131.26 g/mol
LogP2.28
Rot. Bonds1

About ethane;3-ethylpyrrolidine;molecular hydrogen

ethane;3-ethylpyrrolidine;molecular hydrogen (PubChem CID 143963843) has the molecular formula C8H21N and a molecular weight of 131.26 g/mol. Its IUPAC name is ethane;3-ethylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-ethylpyrrolidine;molecular hydrogen
PubChem CID143963843
Molecular FormulaC8H21N
Molecular Weight131.26 g/mol
Exact Mass131.17
IUPAC Nameethane;3-ethylpyrrolidine;molecular hydrogen
SMILESCC.CCC1CCNC1.[H][H]
InChIInChI=1S/C6H13N.C2H6.H2/c1-2-6-3-4-7-5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H
InChIKeyZFOIESPXRSIQLB-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethylpyrrolidine
CID 143803201
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
3-ethylpyrrolidine;methanamine;(Z)-prop-1-en-1-amine
CID 143855109
3-ethylazonane
CID 154533924
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
3-ethylpyrrolidine;methane;methylcyclohexane;3-methylpyrrolidine
CID 159916829
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
(3S)-3-pentylpyrrolidine
CID 10261191
5-cyclohexyl-3-ethylazepane
CID 22627824

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylpyrrolidine;molecular hydrogen?
The IUPAC name of ethane;3-ethylpyrrolidine;molecular hydrogen (CID 143963843) is ethane;3-ethylpyrrolidine;molecular hydrogen.
What is the SMILES notation for ethane;3-ethylpyrrolidine;molecular hydrogen?
The canonical SMILES for ethane;3-ethylpyrrolidine;molecular hydrogen is CC.CCC1CCNC1.[H][H].
What is the InChIKey of ethane;3-ethylpyrrolidine;molecular hydrogen?
The InChIKey is ZFOIESPXRSIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H6.H2/c1-2-6-3-4-7-5-6;1-2;/h6-7H,2-5H2,1H3;1-2H3;1H.
What are the key properties of ethane;3-ethylpyrrolidine;molecular hydrogen?
ethane;3-ethylpyrrolidine;molecular hydrogen has a molecular weight of 131.26 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 143963843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).