dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium

C16H21N2+ — CID 6954515

IUPACdimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
SMILESC[NH+](C)CC[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyIJHNSHDBIRRJRN-OAHLLOKOSA-O
MW241.36 g/mol
LogP1.75
Rot. Bonds5

About dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium

dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium (PubChem CID 6954515) has the molecular formula C16H21N2+ and a molecular weight of 241.36 g/mol. Its IUPAC name is dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium.

Molecular Properties

Compound Namedimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
PubChem CID6954515
Molecular FormulaC16H21N2+
Molecular Weight241.36 g/mol
Exact Mass241.17
IUPAC Namedimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
SMILESC[NH+](C)CC[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1
InChIKeyIJHNSHDBIRRJRN-OAHLLOKOSA-O
XLogP1.75
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethyl-5,5-dimethyl-1-phenylhexyl)pyridine
CID 57295070
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
CID 171379399
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
ethane;2-(1-phenylethyl)pyridine
CID 143899083

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium?
The IUPAC name of dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium (CID 6954515) is dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium.
What is the SMILES notation for dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium?
The canonical SMILES for dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium is C[NH+](C)CC[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium?
The InChIKey is IJHNSHDBIRRJRN-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium?
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium has a molecular weight of 241.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium is sourced from PubChem (CID 6954515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).