N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

C30H34N4 — CID 67438328

IUPACN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESCN(C)CCC(c1ccccc1)c1ccccn1.c1ccc2c(CC3=NCCN3)cccc2c1
InChIInChI=1S/C16H20N2.C14H14N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h3-10,12,15H,11,13H2,1-2H3;1-7H,8-10H2,(H,15,16)
InChIKeyNUEDBAJIKBBVKU-UHFFFAOYSA-N
MW450.63 g/mol
LogP5.55
Rot. Bonds7

About N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 67438328) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID67438328
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC NameN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESCN(C)CCC(c1ccccc1)c1ccccn1.c1ccc2c(CC3=NCCN3)cccc2c1
InChIInChI=1S/C16H20N2.C14H14N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h3-10,12,15H,11,13H2,1-2H3;1-7H,8-10H2,(H,15,16)
InChIKeyNUEDBAJIKBBVKU-UHFFFAOYSA-N
XLogP5.55
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole (CID 67438328) is N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole is CN(C)CCC(c1ccccc1)c1ccccn1.c1ccc2c(CC3=NCCN3)cccc2c1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NUEDBAJIKBBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C14H14N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h3-10,12,15H,11,13H2,1-2H3;1-7H,8-10H2,(H,15,16).
What are the key properties of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 450.63 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 67438328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).