1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine

C10H19N — CID 18726875

IUPAC1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H19N/c1-9-5-7-11(8-6-9)10(2,3)4/h5H,6-8H2,1-4H3
InChIKeyRCQPRFZMQVMVBX-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds

About 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine

1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 18726875) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID18726875
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H19N/c1-9-5-7-11(8-6-9)10(2,3)4/h5H,6-8H2,1-4H3
InChIKeyRCQPRFZMQVMVBX-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine (CID 18726875) is 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is RCQPRFZMQVMVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-5-7-11(8-6-9)10(2,3)4/h5H,6-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 18726875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).