6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one

C14H22N2O — CID 106801340

IUPAC6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)Cc1ccncc1
InChIInChI=1S/C14H22N2O/c1-3-14(17)6-5-11-16(4-2)12-13-7-9-15-10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeyVSZDUAGOLJTYAH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds8

About 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one

6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one (PubChem CID 106801340) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
PubChem CID106801340
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CC)Cc1ccncc1
InChIInChI=1S/C14H22N2O/c1-3-14(17)6-5-11-16(4-2)12-13-7-9-15-10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeyVSZDUAGOLJTYAH-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

N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
6-[ethyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801535
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 54295861
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
CID 61450798
N'-ethyl-N-propyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430423
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
N-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62553729

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one?
The IUPAC name of 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one (CID 106801340) is 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one?
The canonical SMILES for 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one is CCC(=O)CCCN(CC)Cc1ccncc1.
What is the InChIKey of 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one?
The InChIKey is VSZDUAGOLJTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14(17)6-5-11-16(4-2)12-13-7-9-15-10-8-13/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one?
6-[ethyl(pyridin-4-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-4-ylmethyl)amino]hexan-3-one is sourced from PubChem (CID 106801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).