(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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Related Compounds

2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653

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).