N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C16H29N3O — CID 63267549

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O/c1-17-11-15-8-10-19(12-15)13-16(20)18-9-7-14-5-3-2-4-6-14/h5,15,17H,2-4,6-13H2,1H3,(H,18,20)
InChIKeyBLUXTWJJQFYZJW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 63267549) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID63267549
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O/c1-17-11-15-8-10-19(12-15)13-16(20)18-9-7-14-5-3-2-4-6-14/h5,15,17H,2-4,6-13H2,1H3,(H,18,20)
InChIKeyBLUXTWJJQFYZJW-UHFFFAOYSA-N
XLogP1.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95327157
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
CID 166232642
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 63267549) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCN(CC(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is BLUXTWJJQFYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-17-11-15-8-10-19(12-15)13-16(20)18-9-7-14-5-3-2-4-6-14/h5,15,17H,2-4,6-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63267549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).