4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine

C16H31NO — CID 176795543

IUPAC4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCC(COC(C)C)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-13(2)18-12-14(3)11-17-9-7-15(8-10-17)16(4,5)6/h7,13-14H,8-12H2,1-6H3
InChIKeyGQAJRJZLUNTEQJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.73
Rot. Bonds5

About 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine

4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine (PubChem CID 176795543) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine
PubChem CID176795543
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCC(COC(C)C)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-13(2)18-12-14(3)11-17-9-7-15(8-10-17)16(4,5)6/h7,13-14H,8-12H2,1-6H3
InChIKeyGQAJRJZLUNTEQJ-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
CID 106313147
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
4-(2-methyl-3-propan-2-yloxypropyl)-1,4-oxazepan-7-one
CID 122498322
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
4-[(2S)-2-methyl-3-propan-2-yloxypropyl]morpholine
CID 172528802
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 114460305
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 176795488
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 114460346

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine (CID 176795543) is 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine is CC(COC(C)C)CN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is GQAJRJZLUNTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)18-12-14(3)11-17-9-7-15(8-10-17)16(4,5)6/h7,13-14H,8-12H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 253.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176795543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).