1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one

C12H20N2O — CID 134406711

IUPAC1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one
SMILESCCC(=O)CN(C)C1=CC=C(C)N(C)C1
InChIInChI=1S/C12H20N2O/c1-5-12(15)9-14(4)11-7-6-10(2)13(3)8-11/h6-7H,5,8-9H2,1-4H3
InChIKeyUBLKSPGXTRJQPR-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.63
Rot. Bonds4

About 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one

1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one (PubChem CID 134406711) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one.

Molecular Properties

Compound Name1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one
PubChem CID134406711
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one
SMILESCCC(=O)CN(C)C1=CC=C(C)N(C)C1
InChIInChI=1S/C12H20N2O/c1-5-12(15)9-14(4)11-7-6-10(2)13(3)8-11/h6-7H,5,8-9H2,1-4H3
InChIKeyUBLKSPGXTRJQPR-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one?
The IUPAC name of 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one (CID 134406711) is 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one.
What is the SMILES notation for 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one?
The canonical SMILES for 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one is CCC(=O)CN(C)C1=CC=C(C)N(C)C1.
What is the InChIKey of 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one?
The InChIKey is UBLKSPGXTRJQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-12(15)9-14(4)11-7-6-10(2)13(3)8-11/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one?
1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,6-dimethyl-2H-pyridin-3-yl)-methylamino]butan-2-one is sourced from PubChem (CID 134406711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).