3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C10H18N2O2 — CID 106113958

IUPAC3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H18N2O2/c1-8-3-5-12(6-4-8)10(13)9(7-11)14-2/h3,9H,4-7,11H2,1-2H3
InChIKeyXTTGIHLULCBSQK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds3

About 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 106113958) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID106113958
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C10H18N2O2/c1-8-3-5-12(6-4-8)10(13)9(7-11)14-2/h3,9H,4-7,11H2,1-2H3
InChIKeyXTTGIHLULCBSQK-UHFFFAOYSA-N
XLogP0.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
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

3-amino-2-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113964
morpholin-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489929
2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 70641609
3-(2-methoxyethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 71286421
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50959580
2-methoxy-N-[(1-pent-2-yn-1-yl-1,2,3,6-tetrahydropyridin-4-yl)methyl]acetamide
CID 50972729
N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
CID 75519431
(2S)-N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
CID 97811585
(2R)-N-methyl-4-(3-methylbut-2-enyl)morpholine-2-carboxamide
CID 97811586
2-methoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 103021679
2-propoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 104954971
2-(2-methoxyethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 104954989

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 106113958) is 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is COC(CN)C(=O)N1CC=C(C)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is XTTGIHLULCBSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-3-5-12(6-4-8)10(13)9(7-11)14-2/h3,9H,4-7,11H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 106113958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).