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

C11H24N2O — CID 143082377

IUPACethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCC.CCNCC1CCN(C(C)=O)C1
InChIInChI=1S/C9H18N2O.C2H6/c1-3-10-6-9-4-5-11(7-9)8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3
InChIKeyWRTMCSZEBCJMGE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.49
Rot. Bonds3

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

ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 143082377) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID143082377
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCC.CCNCC1CCN(C(C)=O)C1
InChIInChI=1S/C9H18N2O.C2H6/c1-3-10-6-9-4-5-11(7-9)8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3
InChIKeyWRTMCSZEBCJMGE-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
1-[(3S)-3-[[[2,3-dihydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 175786713
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone (CID 143082377) is ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone is CC.CCNCC1CCN(C(C)=O)C1.
What is the InChIKey of ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WRTMCSZEBCJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6/c1-3-10-6-9-4-5-11(7-9)8(2)12;1-2/h9-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone?
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 200.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143082377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).