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

C13H24N2O2 — CID 114409646

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCOCC1=CCN(C(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)14-7-4-13(16)15-8-5-12(6-9-15)10-17-3/h5,11,14H,4,6-10H2,1-3H3
InChIKeyIAFUIDWJWWNMFY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds6

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 114409646) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID114409646
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCOCC1=CCN(C(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)14-7-4-13(16)15-8-5-12(6-9-15)10-17-3/h5,11,14H,4,6-10H2,1-3H3
InChIKeyIAFUIDWJWWNMFY-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
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

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921252
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921263
(2S)-2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 104921264
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone
CID 105575011
3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 114409646) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one is COCC1=CCN(C(=O)CCNC(C)C)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is IAFUIDWJWWNMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)14-7-4-13(16)15-8-5-12(6-9-15)10-17-3/h5,11,14H,4,6-10H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 114409646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).