2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide

C10H18N2O — CID 130637291

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-9(2)11-10(13)8-12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,11,13)
InChIKeyQHYBXEJZWPCCAT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide

2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide (PubChem CID 130637291) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
PubChem CID130637291
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-9(2)11-10(13)8-12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,11,13)
InChIKeyQHYBXEJZWPCCAT-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide (CID 130637291) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is QHYBXEJZWPCCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)11-10(13)8-12-6-4-3-5-7-12/h3-4,9H,5-8H2,1-2H3,(H,11,13).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 130637291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).