4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one

C14H25NO2 — CID 102648377

IUPAC4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one
SMILESCC(C)C(CCN)CCC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO2/c1-11(2)12(8-9-15)6-7-13(16)14-5-3-4-10-17-14/h5,11-12H,3-4,6-10,15H2,1-2H3
InChIKeyOSYYISIAFMTDNK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.65
Rot. Bonds7

About 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one

4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one (PubChem CID 102648377) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one
PubChem CID102648377
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one
SMILESCC(C)C(CCN)CCC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO2/c1-11(2)12(8-9-15)6-7-13(16)14-5-3-4-10-17-14/h5,11-12H,3-4,6-10,15H2,1-2H3
InChIKeyOSYYISIAFMTDNK-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one (CID 102648377) is 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one is CC(C)C(CCN)CCC(=O)C1=CCCCO1.
What is the InChIKey of 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one?
The InChIKey is OSYYISIAFMTDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12(8-9-15)6-7-13(16)14-5-3-4-10-17-14/h5,11-12H,3-4,6-10,15H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one?
4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-5-methylhexan-1-one is sourced from PubChem (CID 102648377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).