2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

C11H22N2 — CID 75437864

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC(C)(C)C1=CCN(CCN)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9,12H2,1-3H3
InChIKeyRNGUSROHDADMOW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (PubChem CID 75437864) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
PubChem CID75437864
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC(C)(C)C1=CCN(CCN)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9,12H2,1-3H3
InChIKeyRNGUSROHDADMOW-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (CID 75437864) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is CC(C)(C)C1=CCN(CCN)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The InChIKey is RNGUSROHDADMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9,12H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 75437864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).