6-(diethylamino)hexan-3-one;methanamine;quinoline

C20H33N3O — CID 159201396

IUPAC6-(diethylamino)hexan-3-one;methanamine;quinoline
SMILESCCC(=O)CCCN(CC)CC.CN.c1ccc2ncccc2c1
InChIInChI=1S/C10H21NO.C9H7N.CH5N/c1-4-10(12)8-7-9-11(5-2)6-3;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h4-9H2,1-3H3;1-7H;2H2,1H3
InChIKeyKPILNNYKXXFZJR-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.90
Rot. Bonds7

About 6-(diethylamino)hexan-3-one;methanamine;quinoline

6-(diethylamino)hexan-3-one;methanamine;quinoline (PubChem CID 159201396) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 6-(diethylamino)hexan-3-one;methanamine;quinoline.

Molecular Properties

Compound Name6-(diethylamino)hexan-3-one;methanamine;quinoline
PubChem CID159201396
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name6-(diethylamino)hexan-3-one;methanamine;quinoline
SMILESCCC(=O)CCCN(CC)CC.CN.c1ccc2ncccc2c1
InChIInChI=1S/C10H21NO.C9H7N.CH5N/c1-4-10(12)8-7-9-11(5-2)6-3;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h4-9H2,1-3H3;1-7H;2H2,1H3
InChIKeyKPILNNYKXXFZJR-UHFFFAOYSA-N
XLogP3.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)hexan-3-one;methanamine;quinoline?
The IUPAC name of 6-(diethylamino)hexan-3-one;methanamine;quinoline (CID 159201396) is 6-(diethylamino)hexan-3-one;methanamine;quinoline.
What is the SMILES notation for 6-(diethylamino)hexan-3-one;methanamine;quinoline?
The canonical SMILES for 6-(diethylamino)hexan-3-one;methanamine;quinoline is CCC(=O)CCCN(CC)CC.CN.c1ccc2ncccc2c1.
What is the InChIKey of 6-(diethylamino)hexan-3-one;methanamine;quinoline?
The InChIKey is KPILNNYKXXFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C9H7N.CH5N/c1-4-10(12)8-7-9-11(5-2)6-3;1-2-6-9-8(4-1)5-3-7-10-9;1-2/h4-9H2,1-3H3;1-7H;2H2,1H3.
What are the key properties of 6-(diethylamino)hexan-3-one;methanamine;quinoline?
6-(diethylamino)hexan-3-one;methanamine;quinoline has a molecular weight of 331.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexan-3-one;methanamine;quinoline is sourced from PubChem (CID 159201396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).