4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine

C10H19N — CID 139546582

IUPAC4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)(C)C1=CCNCC1
InChIInChI=1S/C10H19N/c1-4-10(2,3)9-5-7-11-8-6-9/h5,11H,4,6-8H2,1-3H3
InChIKeyVRSSHDILPZIWSP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine

4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 139546582) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID139546582
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCCC(C)(C)C1=CCNCC1
InChIInChI=1S/C10H19N/c1-4-10(2,3)9-5-7-11-8-6-9/h5,11H,4,6-8H2,1-3H3
InChIKeyVRSSHDILPZIWSP-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine (CID 139546582) is 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine is CCC(C)(C)C1=CCNCC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VRSSHDILPZIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-10(2,3)9-5-7-11-8-6-9/h5,11H,4,6-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine?
4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 139546582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).