2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

C14H25N3O — CID 115302497

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC[C@H](N)C1)C1=CCCCC1
InChIInChI=1S/C14H25N3O/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16/h6,12H,2-5,7-11,15H2,1H3/t12-/m0/s1
InChIKeyDKIMGDCUUVCVQO-LBPRGKRZSA-N
MW251.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 115302497) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID115302497
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CC[C@H](N)C1)C1=CCCCC1
InChIInChI=1S/C14H25N3O/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16/h6,12H,2-5,7-11,15H2,1H3/t12-/m0/s1
InChIKeyDKIMGDCUUVCVQO-LBPRGKRZSA-N
XLogP1.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 94340550
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61235935
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 78955983
3-amino-1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324787
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80703389

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 115302497) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CC[C@H](N)C1)C1=CCCCC1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is DKIMGDCUUVCVQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16/h6,12H,2-5,7-11,15H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 115302497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).