1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine

C12H23N — CID 58233773

IUPAC1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1(C(C)C)C=CN(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h6,8,10-11H,7,9H2,1-5H3
InChIKeySQHBWQUMCRWKKR-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine

1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine (PubChem CID 58233773) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
PubChem CID58233773
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1(C(C)C)C=CN(C)CC1
InChIInChI=1S/C12H23N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h6,8,10-11H,7,9H2,1-5H3
InChIKeySQHBWQUMCRWKKR-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine?
The IUPAC name of 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine (CID 58233773) is 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine is CC(C)C1(C(C)C)C=CN(C)CC1.
What is the InChIKey of 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine?
The InChIKey is SQHBWQUMCRWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12(11(3)4)6-8-13(5)9-7-12/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine?
1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine has a molecular weight of 181.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 58233773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).