4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C12H23N — CID 167225032

IUPAC4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)C)CN(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9-10H,6-8H2,1-5H3
InChIKeyGOBJPXNWPMZNBP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 167225032) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID167225032
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)C)CN(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9-10H,6-8H2,1-5H3
InChIKeyGOBJPXNWPMZNBP-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
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 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 167225032) is 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC1=C(C(C)C)CN(C(C)C)CC1.
What is the InChIKey of 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is GOBJPXNWPMZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12-8-13(10(3)4)7-6-11(12)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167225032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).