5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one

C11H20N2O — CID 114409070

IUPAC5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-10(12)6-5-7-11(14)13-8-3-2-4-9-13/h2-3,10H,4-9,12H2,1H3
InChIKeyFIEFKDUNRRASQG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds4

About 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one

5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (PubChem CID 114409070) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
PubChem CID114409070
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-10(12)6-5-7-11(14)13-8-3-2-4-9-13/h2-3,10H,4-9,12H2,1H3
InChIKeyFIEFKDUNRRASQG-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
CID 82851488
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
CID 130608897
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999365

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (CID 114409070) is 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is CC(N)CCCC(=O)N1CC=CCC1.
What is the InChIKey of 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The InChIKey is FIEFKDUNRRASQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(12)6-5-7-11(14)13-8-3-2-4-9-13/h2-3,10H,4-9,12H2,1H3.
What are the key properties of 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is sourced from PubChem (CID 114409070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).