2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide

C14H25N3O — CID 82358707

IUPAC2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide
SMILESNCC1C=CCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12/h4,8,12-13H,1-3,5-7,9-11,15H2,(H,16,18)
InChIKeyGREKMNJCFXKUSH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.02
Rot. Bonds4

About 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide

2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide (PubChem CID 82358707) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide
PubChem CID82358707
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide
SMILESNCC1C=CCCN1CC(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12/h4,8,12-13H,1-3,5-7,9-11,15H2,(H,16,18)
InChIKeyGREKMNJCFXKUSH-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.02
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

2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
CID 113320029
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[2-(aminomethyl)morpholin-4-yl]-N-cycloheptylacetamide
CID 62548940

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide (CID 82358707) is 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide is NCC1C=CCCN1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide?
The InChIKey is GREKMNJCFXKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-1-3-7-12/h4,8,12-13H,1-3,5-7,9-11,15H2,(H,16,18).
What are the key properties of 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide?
2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 82358707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).