2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

C8H18N2 — CID 79188103

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(CCN)CC1C
InChIInChI=1S/C8H18N2/c1-7-5-10(4-3-9)6-8(7)2/h7-8H,3-6,9H2,1-2H3
InChIKeyKWIXUBQUGJYLIS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.53
Rot. Bonds2

About 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 79188103) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID79188103
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(CCN)CC1C
InChIInChI=1S/C8H18N2/c1-7-5-10(4-3-9)6-8(7)2/h7-8H,3-6,9H2,1-2H3
InChIKeyKWIXUBQUGJYLIS-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine
CID 100983747
2-(3-azabicyclo[3.2.0]heptan-3-yl)ethanamine
CID 55290906
1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 72789543
5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine
CID 82016878
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 130820559
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 130719606

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (CID 79188103) is 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is CC1CN(CCN)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is KWIXUBQUGJYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7-5-10(4-3-9)6-8(7)2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 79188103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).