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

C14H26N2O2 — CID 114409739

IUPAC3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOCC1=CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-8-5-13(17)16-9-6-12(7-10-16)11-18-4/h6,15H,5,7-11H2,1-4H3
InChIKeyRZRUUFWYTGATNS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds5

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

3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 114409739) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID114409739
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCOCC1=CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)15-8-5-13(17)16-9-6-12(7-10-16)11-18-4/h6,15H,5,7-11H2,1-4H3
InChIKeyRZRUUFWYTGATNS-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 114409739) is 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is COCC1=CCN(C(=O)CCNC(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is RZRUUFWYTGATNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)15-8-5-13(17)16-9-6-12(7-10-16)11-18-4/h6,15H,5,7-11H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 114409739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).