ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone

C12H28N2O — CID 143082403

IUPACethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
SMILESCC.CC.CCNC1CCN(C(C)=O)C1
InChIInChI=1S/C8H16N2O.2C2H6/c1-3-9-8-4-5-10(6-8)7(2)11;2*1-2/h8-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyJJDAQGUXUOIICZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.27
Rot. Bonds2

About ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone

ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 143082403) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
PubChem CID143082403
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
SMILESCC.CC.CCNC1CCN(C(C)=O)C1
InChIInChI=1S/C8H16N2O.2C2H6/c1-3-9-8-4-5-10(6-8)7(2)11;2*1-2/h8-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyJJDAQGUXUOIICZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893969
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone (CID 143082403) is ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone is CC.CC.CCNC1CCN(C(C)=O)C1.
What is the InChIKey of ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is JJDAQGUXUOIICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2C2H6/c1-3-9-8-4-5-10(6-8)7(2)11;2*1-2/h8-9H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone?
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 216.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).