1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

C13H25N — CID 59886905

IUPAC1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)C)C(C)C(C)N(C)C1C
InChIInChI=1S/C13H25N/c1-8(2)13-9(3)11(5)14(7)12(6)10(13)4/h8-9,11-12H,1-7H3
InChIKeyXTLRGAOWMKGJPN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.32
Rot. Bonds1

About 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine

1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 59886905) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID59886905
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C(C)C)C(C)C(C)N(C)C1C
InChIInChI=1S/C13H25N/c1-8(2)13-9(3)11(5)14(7)12(6)10(13)4/h8-9,11-12H,1-7H3
InChIKeyXTLRGAOWMKGJPN-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.32
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 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 59886905) is 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is CC1=C(C(C)C)C(C)C(C)N(C)C1C.
What is the InChIKey of 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is XTLRGAOWMKGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)13-9(3)11(5)14(7)12(6)10(13)4/h8-9,11-12H,1-7H3.
What are the key properties of 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59886905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).