N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide

C13H24N2O — CID 134570618

IUPACN-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide
SMILESCCC(=O)N(C)CCCC1=CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-4-13(16)15(3)9-5-6-12-7-10-14(2)11-8-12/h7H,4-6,8-11H2,1-3H3
InChIKeyVLEJXCMRYIZBSV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide

N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide (PubChem CID 134570618) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide
PubChem CID134570618
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide
SMILESCCC(=O)N(C)CCCC1=CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-4-13(16)15(3)9-5-6-12-7-10-14(2)11-8-12/h7H,4-6,8-11H2,1-3H3
InChIKeyVLEJXCMRYIZBSV-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]propanamide
CID 56708215
N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205763
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
CID 57288665
N-methyl-N-pent-4-enylpropanamide
CID 115640317
5-ethyl-1-methyl-2,3,4,7-tetrahydroazepine
CID 123370183
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
CID 130841585
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
CID 50950025
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
N-(3-ethylpentyl)-N-methylpropanamide
CID 145216447
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide?
The IUPAC name of N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide (CID 134570618) is N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide.
What is the SMILES notation for N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide?
The canonical SMILES for N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide is CCC(=O)N(C)CCCC1=CCN(C)CC1.
What is the InChIKey of N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide?
The InChIKey is VLEJXCMRYIZBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-13(16)15(3)9-5-6-12-7-10-14(2)11-8-12/h7H,4-6,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide?
N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide is sourced from PubChem (CID 134570618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).