6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one

C13H26N2O — CID 43266540

IUPAC6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
SMILESCCC1CCCCN1C(=O)CCCCCN
InChIInChI=1S/C13H26N2O/c1-2-12-8-5-7-11-15(12)13(16)9-4-3-6-10-14/h12H,2-11,14H2,1H3
InChIKeyNFLCJCGZIRCRDQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.30
Rot. Bonds6

About 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one

6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one (PubChem CID 43266540) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
PubChem CID43266540
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
SMILESCCC1CCCCN1C(=O)CCCCCN
InChIInChI=1S/C13H26N2O/c1-2-12-8-5-7-11-15(12)13(16)9-4-3-6-10-14/h12H,2-11,14H2,1H3
InChIKeyNFLCJCGZIRCRDQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
1-[2-(methylsulfonylmethyl)piperidin-1-yl]octan-1-one
CID 126818714
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one (CID 43266540) is 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one is CCC1CCCCN1C(=O)CCCCCN.
What is the InChIKey of 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one?
The InChIKey is NFLCJCGZIRCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12-8-5-7-11-15(12)13(16)9-4-3-6-10-14/h12H,2-11,14H2,1H3.
What are the key properties of 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one?
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 43266540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).