1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one

C14H28N2O — CID 114802168

IUPAC1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(CCN)C1
InChIInChI=1S/C14H28N2O/c1-3-5-6-13(4-2)14(17)16-10-8-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3
InChIKeyCKZJNOXNARPOSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds7

About 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one

1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one (PubChem CID 114802168) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
PubChem CID114802168
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(CCN)C1
InChIInChI=1S/C14H28N2O/c1-3-5-6-13(4-2)14(17)16-10-8-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3
InChIKeyCKZJNOXNARPOSX-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one (CID 114802168) is 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one is CCCCC(CC)C(=O)N1CCC(CCN)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one?
The InChIKey is CKZJNOXNARPOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-6-13(4-2)14(17)16-10-8-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one?
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one is sourced from PubChem (CID 114802168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).