N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine

C17H27N3 — CID 114460734

IUPACN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CC=C(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3/c1-5-18-13-15-7-6-8-16(19-15)20-11-9-14(10-12-20)17(2,3)4/h6-9,18H,5,10-13H2,1-4H3
InChIKeyPCTJKXZDJMVQHN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.37
Rot. Bonds4

About N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 114460734) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID114460734
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CC=C(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3/c1-5-18-13-15-7-6-8-16(19-15)20-11-9-14(10-12-20)17(2,3)4/h6-9,18H,5,10-13H2,1-4H3
InChIKeyPCTJKXZDJMVQHN-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.37
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-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine (CID 114460734) is N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CC=C(C(C)(C)C)CC2)n1.
What is the InChIKey of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is PCTJKXZDJMVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-18-13-15-7-6-8-16(19-15)20-11-9-14(10-12-20)17(2,3)4/h6-9,18H,5,10-13H2,1-4H3.
What are the key properties of N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114460734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).