N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine

C19H24N2O — CID 54529314

IUPACN,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine
SMILESCc1ccc(OCCCN(C)C)c(C=Cc2ccccc2)n1
InChIInChI=1S/C19H24N2O/c1-16-10-13-19(22-15-7-14-21(2)3)18(20-16)12-11-17-8-5-4-6-9-17/h4-6,8-13H,7,14-15H2,1-3H3
InChIKeyYVJHNBPFAVUQEZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.89
Rot. Bonds7

About N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine (PubChem CID 54529314) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine
PubChem CID54529314
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine
SMILESCc1ccc(OCCCN(C)C)c(C=Cc2ccccc2)n1
InChIInChI=1S/C19H24N2O/c1-16-10-13-19(22-15-7-14-21(2)3)18(20-16)12-11-17-8-5-4-6-9-17/h4-6,8-13H,7,14-15H2,1-3H3
InChIKeyYVJHNBPFAVUQEZ-UHFFFAOYSA-N
XLogP3.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine (CID 54529314) is N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine is Cc1ccc(OCCCN(C)C)c(C=Cc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine?
The InChIKey is YVJHNBPFAVUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-10-13-19(22-15-7-14-21(2)3)18(20-16)12-11-17-8-5-4-6-9-17/h4-6,8-13H,7,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine has a molecular weight of 296.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 54529314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).