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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114460738
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 114490584
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
CID 115774288
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 114460782
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114412857
N-[[6-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62282465
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 64579840
N-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62284708
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337

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).