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

C11H20N2O — CID 115977074

IUPAC2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-3-7-10(12)11(14)13-8-5-4-6-9-13/h4-5,10H,2-3,6-9,12H2,1H3
InChIKeyKSBCLRGQRMRBRA-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds4

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

2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (PubChem CID 115977074) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
PubChem CID115977074
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-2-3-7-10(12)11(14)13-8-5-4-6-9-13/h4-5,10H,2-3,6-9,12H2,1H3
InChIKeyKSBCLRGQRMRBRA-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

2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313945
(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 107146692
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (CID 115977074) is 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CC=CCC1.
What is the InChIKey of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The InChIKey is KSBCLRGQRMRBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-7-10(12)11(14)13-8-5-4-6-9-13/h4-5,10H,2-3,6-9,12H2,1H3.
What are the key properties of 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
2-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 2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is sourced from PubChem (CID 115977074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).