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

C15H28N2O2 — CID 114409669

IUPAC6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one
SMILESCOCC1=CCN(C(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C15H28N2O2/c1-12(5-4-6-13(2)16)15(18)17-9-7-14(8-10-17)11-19-3/h7,12-13H,4-6,8-11,16H2,1-3H3
InChIKeyLFUGLDWIYVPJDY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds7

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

6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one (PubChem CID 114409669) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one
PubChem CID114409669
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one
SMILESCOCC1=CCN(C(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C15H28N2O2/c1-12(5-4-6-13(2)16)15(18)17-9-7-14(8-10-17)11-19-3/h7,12-13H,4-6,8-11,16H2,1-3H3
InChIKeyLFUGLDWIYVPJDY-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
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

(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpentan-1-one
CID 104921261
(3S)-3-(aminomethyl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methylhexan-1-one
CID 104921270
(2S,3S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 104921271
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 104921277
[4-(aminomethyl)cyclohexyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963830
2-(aminomethyl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-1-one
CID 107472800
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 107570780
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 107570781
(2-aminocyclopentyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113581416
(4-aminocyclopent-2-en-1-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113581418
5-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpentan-1-one
CID 113581421
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 113581427

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one (CID 114409669) is 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one is COCC1=CCN(C(=O)C(C)CCCC(C)N)CC1.
What is the InChIKey of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one?
The InChIKey is LFUGLDWIYVPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(5-4-6-13(2)16)15(18)17-9-7-14(8-10-17)11-19-3/h7,12-13H,4-6,8-11,16H2,1-3H3.
What are the key properties of 6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one?
6-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylheptan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.95, 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]-2-methylheptan-1-one is sourced from PubChem (CID 114409669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).