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

C12H22N2O — CID 106313917

IUPAC6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC1=CCCN(C(=O)CCCCCN)C1
InChIInChI=1S/C12H22N2O/c1-11-6-5-9-14(10-11)12(15)7-3-2-4-8-13/h6H,2-5,7-10,13H2,1H3
InChIKeyDGYNSYRYTYSVHN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds5

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

6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (PubChem CID 106313917) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
PubChem CID106313917
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
SMILESCC1=CCCN(C(=O)CCCCCN)C1
InChIInChI=1S/C12H22N2O/c1-11-6-5-9-14(10-11)12(15)7-3-2-4-8-13/h6H,2-5,7-10,13H2,1H3
InChIKeyDGYNSYRYTYSVHN-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 106314057
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106316937
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
CID 63027109
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
4-amino-1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 114409026
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one (CID 106313917) is 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is CC1=CCCN(C(=O)CCCCCN)C1.
What is the InChIKey of 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
The InChIKey is DGYNSYRYTYSVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-6-5-9-14(10-11)12(15)7-3-2-4-8-13/h6H,2-5,7-10,13H2,1H3.
What are the key properties of 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one?
6-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, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one is sourced from PubChem (CID 106313917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).