3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one

C19H24N2O — CID 70926545

IUPAC3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)C(NCCC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)18(15-9-5-4-6-10-15)21-14-12-17(22)16-11-7-8-13-20-16/h4-11,13,18,21H,12,14H2,1-3H3
InChIKeyBSRBBCOXVOXJST-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.03
Rot. Bonds6

About 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one

3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one (PubChem CID 70926545) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one
PubChem CID70926545
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)C(NCCC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-19(2,3)18(15-9-5-4-6-10-15)21-14-12-17(22)16-11-7-8-13-20-16/h4-11,13,18,21H,12,14H2,1-3H3
InChIKeyBSRBBCOXVOXJST-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-pyridin-2-ylhexan-1-one
CID 556347
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one (CID 70926545) is 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one is CC(C)(C)C(NCCC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one?
The InChIKey is BSRBBCOXVOXJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,3)18(15-9-5-4-6-10-15)21-14-12-17(22)16-11-7-8-13-20-16/h4-11,13,18,21H,12,14H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one?
3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1-phenylpropyl)amino]-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 70926545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).