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

C13H26N2 — CID 71049116

IUPAC2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)12-6-8-15(9-7-12)11-10-14(4)5/h6H,7-11H2,1-5H3
InChIKeyCFMPSWYWFFIZOP-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds3

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

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine (PubChem CID 71049116) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
PubChem CID71049116
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)12-6-8-15(9-7-12)11-10-14(4)5/h6H,7-11H2,1-5H3
InChIKeyCFMPSWYWFFIZOP-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
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)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine (CID 71049116) is 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine?
The InChIKey is CFMPSWYWFFIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)12-6-8-15(9-7-12)11-10-14(4)5/h6H,7-11H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine?
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 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)-N,N-dimethylethanamine is sourced from PubChem (CID 71049116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).