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

C17H27N3 — CID 114460738

IUPACN-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CC=C(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H27N3/c1-5-18-13-14-6-9-19-16(12-14)20-10-7-15(8-11-20)17(2,3)4/h6-7,9,12,18H,5,8,10-11,13H2,1-4H3
InChIKeyLAEUAVOWVVHXLT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.37
Rot. Bonds4

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

N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 114460738) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID114460738
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(N2CC=C(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H27N3/c1-5-18-13-14-6-9-19-16(12-14)20-10-7-15(8-11-20)17(2,3)4/h6-7,9,12,18H,5,8,10-11,13H2,1-4H3
InChIKeyLAEUAVOWVVHXLT-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'}

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

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Related Compounds

N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 114460734
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 62282782
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 63619417
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114412468
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 79925273
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62491394
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62295215

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine (CID 114460738) is N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(N2CC=C(C(C)(C)C)CC2)c1.
What is the InChIKey of N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is LAEUAVOWVVHXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-18-13-14-6-9-19-16(12-14)20-10-7-15(8-11-20)17(2,3)4/h6-7,9,12,18H,5,8,10-11,13H2,1-4H3.
What are the key properties of N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-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-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114460738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).