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

C14H26N2O2 — CID 114409615

IUPAC6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one
SMILESCOCC1=CCN(C(=O)CCC(C)CCN)CC1
InChIInChI=1S/C14H26N2O2/c1-12(5-8-15)3-4-14(17)16-9-6-13(7-10-16)11-18-2/h6,12H,3-5,7-11,15H2,1-2H3
InChIKeyPPTNQSZOPAQQPP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.56
Rot. Bonds7

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

6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one (PubChem CID 114409615) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one
PubChem CID114409615
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one
SMILESCOCC1=CCN(C(=O)CCC(C)CCN)CC1
InChIInChI=1S/C14H26N2O2/c1-12(5-8-15)3-4-14(17)16-9-6-13(7-10-16)11-18-2/h6,12H,3-5,7-11,15H2,1-2H3
InChIKeyPPTNQSZOPAQQPP-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.56
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

6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409199
6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114459953
6-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489843
2-(2-aminoethoxy)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114409715
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036253
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
CID 114408134

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one (CID 114409615) is 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one is COCC1=CCN(C(=O)CCC(C)CCN)CC1.
What is the InChIKey of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one?
The InChIKey is PPTNQSZOPAQQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(5-8-15)3-4-14(17)16-9-6-13(7-10-16)11-18-2/h6,12H,3-5,7-11,15H2,1-2H3.
What are the key properties of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one?
6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylhexan-1-one is sourced from PubChem (CID 114409615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).