4-tert-butyl-1,2,3,4-tetrahydropyridine

C9H17N — CID 59918158

IUPAC4-tert-butyl-1,2,3,4-tetrahydropyridine
SMILESCC(C)(C)C1C=CNCC1
InChIInChI=1S/C9H17N/c1-9(2,3)8-4-6-10-7-5-8/h4,6,8,10H,5,7H2,1-3H3
InChIKeyJVXJGZLXYBIISQ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.16
Rot. Bonds

About 4-tert-butyl-1,2,3,4-tetrahydropyridine

4-tert-butyl-1,2,3,4-tetrahydropyridine (PubChem CID 59918158) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-tert-butyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4-tert-butyl-1,2,3,4-tetrahydropyridine
PubChem CID59918158
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-tert-butyl-1,2,3,4-tetrahydropyridine
SMILESCC(C)(C)C1C=CNCC1
InChIInChI=1S/C9H17N/c1-9(2,3)8-4-6-10-7-5-8/h4,6,8,10H,5,7H2,1-3H3
InChIKeyJVXJGZLXYBIISQ-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
3,3-di(propan-2-yl)-2,4-dihydro-1H-pyridine
CID 58055997
3,3-Di(propan-2-yl)-1,2-dihydropyrrole
CID 58056057
1-Methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
CID 58233773
3-Propyl-1,2,3,4-tetrahydropyridine
CID 58247608
4-Propyl-1,2,3,4-tetrahydropyridine
CID 58247726
4-Ethyl-3-methyl-1,2,3,4-tetrahydropyridine
CID 58247736
3-tert-butyl-2,3-dihydro-1H-pyrrole
CID 58312075
2,3-Di(propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 58469976
2,3-ditert-butyl-2,3-dihydro-1H-pyrrole
CID 59299149
4-tert-butyl-4-methyl-2,3-dihydro-1H-pyridine
CID 59918160
3,4-Di(propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 60030648

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4-tert-butyl-1,2,3,4-tetrahydropyridine (CID 59918158) is 4-tert-butyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4-tert-butyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4-tert-butyl-1,2,3,4-tetrahydropyridine is CC(C)(C)C1C=CNCC1.
What is the InChIKey of 4-tert-butyl-1,2,3,4-tetrahydropyridine?
The InChIKey is JVXJGZLXYBIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2,3)8-4-6-10-7-5-8/h4,6,8,10H,5,7H2,1-3H3.
What are the key properties of 4-tert-butyl-1,2,3,4-tetrahydropyridine?
4-tert-butyl-1,2,3,4-tetrahydropyridine has a molecular weight of 139.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 59918158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).