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

C12H22N2O — CID 106313945

IUPAC2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC=C(C)C1
InChIInChI=1S/C12H22N2O/c1-3-4-7-11(13)12(15)14-8-5-6-10(2)9-14/h6,11H,3-5,7-9,13H2,1-2H3
InChIKeyIJBXHCCETYWZCD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds4

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

2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (PubChem CID 106313945) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
PubChem CID106313945
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC=C(C)C1
InChIInChI=1S/C12H22N2O/c1-3-4-7-11(13)12(15)14-8-5-6-10(2)9-14/h6,11H,3-5,7-9,13H2,1-2H3
InChIKeyIJBXHCCETYWZCD-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 107146692
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
4-(2-aminohexanoyl)piperazin-2-one
CID 60853843
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 106314057
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316937
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (CID 106313945) is 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCC=C(C)C1.
What is the InChIKey of 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The InChIKey is IJBXHCCETYWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-7-11(13)12(15)14-8-5-6-10(2)9-14/h6,11H,3-5,7-9,13H2,1-2H3.
What are the key properties of 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is sourced from PubChem (CID 106313945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).