3,5-bis(2-methylpropyl)-2,3-dihydropyridine

C13H23N — CID 123569769

IUPAC3,5-bis(2-methylpropyl)-2,3-dihydropyridine
SMILESCC(C)CC1=CC(CC(C)C)CN=C1
InChIInChI=1S/C13H23N/c1-10(2)5-12-7-13(6-11(3)4)9-14-8-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyHLIGEZWMVVRIPS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds4

About 3,5-bis(2-methylpropyl)-2,3-dihydropyridine

3,5-bis(2-methylpropyl)-2,3-dihydropyridine (PubChem CID 123569769) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,5-bis(2-methylpropyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3,5-bis(2-methylpropyl)-2,3-dihydropyridine
PubChem CID123569769
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,5-bis(2-methylpropyl)-2,3-dihydropyridine
SMILESCC(C)CC1=CC(CC(C)C)CN=C1
InChIInChI=1S/C13H23N/c1-10(2)5-12-7-13(6-11(3)4)9-14-8-12/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyHLIGEZWMVVRIPS-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropyl)-2,3-dihydropyridine?
The IUPAC name of 3,5-bis(2-methylpropyl)-2,3-dihydropyridine (CID 123569769) is 3,5-bis(2-methylpropyl)-2,3-dihydropyridine.
What is the SMILES notation for 3,5-bis(2-methylpropyl)-2,3-dihydropyridine?
The canonical SMILES for 3,5-bis(2-methylpropyl)-2,3-dihydropyridine is CC(C)CC1=CC(CC(C)C)CN=C1.
What is the InChIKey of 3,5-bis(2-methylpropyl)-2,3-dihydropyridine?
The InChIKey is HLIGEZWMVVRIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)5-12-7-13(6-11(3)4)9-14-8-12/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 3,5-bis(2-methylpropyl)-2,3-dihydropyridine?
3,5-bis(2-methylpropyl)-2,3-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropyl)-2,3-dihydropyridine is sourced from PubChem (CID 123569769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).