2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one

C13H24N2O2 — CID 114409771

IUPAC2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-13(2,14)12(16)15-8-5-11(6-9-15)10-17-3/h5H,4,6-10,14H2,1-3H3
InChIKeyNTYIWXLLDXCQOS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one

2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one (PubChem CID 114409771) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one
PubChem CID114409771
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CC=C(COC)CC1
InChIInChI=1S/C13H24N2O2/c1-4-7-13(2,14)12(16)15-8-5-11(6-9-15)10-17-3/h5H,4,6-10,14H2,1-3H3
InChIKeyNTYIWXLLDXCQOS-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-1-one
CID 60846487
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114414582

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one (CID 114409771) is 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one?
The InChIKey is NTYIWXLLDXCQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-13(2,14)12(16)15-8-5-11(6-9-15)10-17-3/h5H,4,6-10,14H2,1-3H3.
What are the key properties of 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one?
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 114409771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).