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

C12H21N — CID 122425478

IUPAC2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C(C)C)=C(C(C)C)N1
InChIInChI=1S/C12H21N/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyTWLFUVDNEWHVGT-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.45
Rot. Bonds2

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

2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine (PubChem CID 122425478) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine
PubChem CID122425478
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine
SMILESC=C1CCC(C(C)C)=C(C(C)C)N1
InChIInChI=1S/C12H21N/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyTWLFUVDNEWHVGT-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine?
The IUPAC name of 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine (CID 122425478) is 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine?
The canonical SMILES for 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine is C=C1CCC(C(C)C)=C(C(C)C)N1.
What is the InChIKey of 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine?
The InChIKey is TWLFUVDNEWHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)11-7-6-10(5)13-12(11)9(3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine?
2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5,6-di(propan-2-yl)-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 122425478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).