N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C17H27N3 — CID 106316542

IUPACN-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C17H27N3/c1-5-16-9-15(11-18-13(2)3)10-17(19-16)20-8-6-7-14(4)12-20/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3
InChIKeyAGBYNAUEPXIWQR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.30
Rot. Bonds5

About N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 106316542) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID106316542
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C17H27N3/c1-5-16-9-15(11-18-13(2)3)10-17(19-16)20-8-6-7-14(4)12-20/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3
InChIKeyAGBYNAUEPXIWQR-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 106316542) is N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CCc1cc(CNC(C)C)cc(N2CCC=C(C)C2)n1.
What is the InChIKey of N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is AGBYNAUEPXIWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-16-9-15(11-18-13(2)3)10-17(19-16)20-8-6-7-14(4)12-20/h7,9-10,13,18H,5-6,8,11-12H2,1-4H3.
What are the key properties of N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106316542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).