6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one

C14H22N2O — CID 106801535

IUPAC6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)Cc1ccccn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)9-7-11-16(4-2)12-13-8-5-6-10-15-13/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3
InChIKeyKUTGIZYSUYXKPS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds8

About 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one

6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one (PubChem CID 106801535) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
PubChem CID106801535
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)Cc1ccccn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)9-7-11-16(4-2)12-13-8-5-6-10-15-13/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3
InChIKeyKUTGIZYSUYXKPS-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
6-(diethylamino)hexan-3-one;methanamine;quinoline
CID 159201396
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The IUPAC name of 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one (CID 106801535) is 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The canonical SMILES for 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one is CCC(=O)CCCN(CC)Cc1ccccn1.
What is the InChIKey of 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one?
The InChIKey is KUTGIZYSUYXKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14(17)9-7-11-16(4-2)12-13-8-5-6-10-15-13/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one?
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one has a molecular weight of 234.34 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one is sourced from PubChem (CID 106801535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).