ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine

C11H26N2 — CID 143462559

IUPACethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
SMILESCC.CCC1(CCNC)CCNC1
InChIInChI=1S/C9H20N2.C2H6/c1-3-9(4-6-10-2)5-7-11-8-9;1-2/h10-11H,3-8H2,1-2H3;1-2H3
InChIKeyUMTJOTRSFLXMBO-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds4

About ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine

ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine (PubChem CID 143462559) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
PubChem CID143462559
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
SMILESCC.CCC1(CCNC)CCNC1
InChIInChI=1S/C9H20N2.C2H6/c1-3-9(4-6-10-2)5-7-11-8-9;1-2/h10-11H,3-8H2,1-2H3;1-2H3
InChIKeyUMTJOTRSFLXMBO-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
CID 145022542
ethane;2-(3-ethylpiperidin-3-yl)ethanamine
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N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
N-[(3-ethylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143321
[3-(methylaminomethyl)pyrrolidin-3-yl]methanethiol
CID 177173220
4,4-diethylpiperidine;hydrochloride
CID 75419509
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-propylpiperazine
CID 55218735
ethane;2-(4-ethylimidazolidin-4-yl)-N-methylethanamine
CID 143190982

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine?
The IUPAC name of ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine (CID 143462559) is ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine.
What is the SMILES notation for ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine?
The canonical SMILES for ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine is CC.CCC1(CCNC)CCNC1.
What is the InChIKey of ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine?
The InChIKey is UMTJOTRSFLXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H6/c1-3-9(4-6-10-2)5-7-11-8-9;1-2/h10-11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine?
ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine is sourced from PubChem (CID 143462559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).