1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine

C16H31N — CID 58291530

IUPAC1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine
SMILESCCN1C(C(C)C)=C(C(C)C)C(C)CC1(C)C
InChIInChI=1S/C16H31N/c1-9-17-15(12(4)5)14(11(2)3)13(6)10-16(17,7)8/h11-13H,9-10H2,1-8H3
InChIKeyPHGBZDFDLUYFDQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.69
Rot. Bonds3

About 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine

1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine (PubChem CID 58291530) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine
PubChem CID58291530
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine
SMILESCCN1C(C(C)C)=C(C(C)C)C(C)CC1(C)C
InChIInChI=1S/C16H31N/c1-9-17-15(12(4)5)14(11(2)3)13(6)10-16(17,7)8/h11-13H,9-10H2,1-8H3
InChIKeyPHGBZDFDLUYFDQ-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine?
The IUPAC name of 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine (CID 58291530) is 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine is CCN1C(C(C)C)=C(C(C)C)C(C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine?
The InChIKey is PHGBZDFDLUYFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-9-17-15(12(4)5)14(11(2)3)13(6)10-16(17,7)8/h11-13H,9-10H2,1-8H3.
What are the key properties of 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine?
1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine has a molecular weight of 237.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 58291530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).