4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine

C12H21N — CID 126993800

IUPAC4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C)CCC2)CC1
InChIInChI=1S/C12H21N/c1-11-4-8-13(9-5-11)10-12(2)6-3-7-12/h4H,3,5-10H2,1-2H3
InChIKeyLKHTWVPTZJCCHY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds2

About 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine

4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 126993800) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID126993800
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC2(C)CCC2)CC1
InChIInChI=1S/C12H21N/c1-11-4-8-13(9-5-11)10-12(2)6-3-7-12/h4H,3,5-10H2,1-2H3
InChIKeyLKHTWVPTZJCCHY-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
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-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine (CID 126993800) is 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine is CC1=CCN(CC2(C)CCC2)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is LKHTWVPTZJCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-4-8-13(9-5-11)10-12(2)6-3-7-12/h4H,3,5-10H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine?
4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126993800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).