(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one

C16H26N2O — CID 129101791

IUPAC(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one
SMILESCN[C@H](C)C(=O)C(C)(C)CC(C)(C)c1ccncc1
InChIInChI=1S/C16H26N2O/c1-12(17-6)14(19)16(4,5)11-15(2,3)13-7-9-18-10-8-13/h7-10,12,17H,11H2,1-6H3/t12-/m1/s1
InChIKeyLPMAOIIILKKAII-GFCCVEGCSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds6

About (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one

(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one (PubChem CID 129101791) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one.

Molecular Properties

Compound Name(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one
PubChem CID129101791
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one
SMILESCN[C@H](C)C(=O)C(C)(C)CC(C)(C)c1ccncc1
InChIInChI=1S/C16H26N2O/c1-12(17-6)14(19)16(4,5)11-15(2,3)13-7-9-18-10-8-13/h7-10,12,17H,11H2,1-6H3/t12-/m1/s1
InChIKeyLPMAOIIILKKAII-GFCCVEGCSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one?
The IUPAC name of (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one (CID 129101791) is (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one.
What is the SMILES notation for (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one?
The canonical SMILES for (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one is CN[C@H](C)C(=O)C(C)(C)CC(C)(C)c1ccncc1.
What is the InChIKey of (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one?
The InChIKey is LPMAOIIILKKAII-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(17-6)14(19)16(4,5)11-15(2,3)13-7-9-18-10-8-13/h7-10,12,17H,11H2,1-6H3/t12-/m1/s1.
What are the key properties of (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one?
(2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one has a molecular weight of 262.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,6-trimethyl-2-(methylamino)-6-pyridin-4-ylheptan-3-one is sourced from PubChem (CID 129101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).