N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine

C25H28N2 — CID 127041500

IUPACN-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine
SMILESCN1CCC=C(c2ccc(CN(C)Cc3ccc4ccccc4c3)cc2)C1
InChIInChI=1S/C25H28N2/c1-26-15-5-8-25(19-26)23-12-9-20(10-13-23)17-27(2)18-21-11-14-22-6-3-4-7-24(22)16-21/h3-4,6-14,16H,5,15,17-19H2,1-2H3
InChIKeyDYOSPPCRDYBBAY-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.19
Rot. Bonds5

About N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine

N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine (PubChem CID 127041500) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine
PubChem CID127041500
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine
SMILESCN1CCC=C(c2ccc(CN(C)Cc3ccc4ccccc4c3)cc2)C1
InChIInChI=1S/C25H28N2/c1-26-15-5-8-25(19-26)23-12-9-20(10-13-23)17-27(2)18-21-11-14-22-6-3-4-7-24(22)16-21/h3-4,6-14,16H,5,15,17-19H2,1-2H3
InChIKeyDYOSPPCRDYBBAY-UHFFFAOYSA-N
XLogP5.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine (CID 127041500) is N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine is CN1CCC=C(c2ccc(CN(C)Cc3ccc4ccccc4c3)cc2)C1.
What is the InChIKey of N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine?
The InChIKey is DYOSPPCRDYBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-26-15-5-8-25(19-26)23-12-9-20(10-13-23)17-27(2)18-21-11-14-22-6-3-4-7-24(22)16-21/h3-4,6-14,16H,5,15,17-19H2,1-2H3.
What are the key properties of N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine?
N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine has a molecular weight of 356.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-N-(naphthalen-2-ylmethyl)methanamine is sourced from PubChem (CID 127041500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).