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

C12H23N — CID 88979200

IUPAC3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1C(C)CC=CN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12-11(5)7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3
InChIKeyYVHPGXKVINDDMB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds2

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

3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 88979200) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID88979200
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1C(C)CC=CN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12-11(5)7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3
InChIKeyYVHPGXKVINDDMB-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 88979200) is 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1C(C)CC=CN1C(C)C.
What is the InChIKey of 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is YVHPGXKVINDDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12-11(5)7-6-8-13(12)10(3)4/h6,8-12H,7H2,1-5H3.
What are the key properties of 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 88979200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).