1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine

C14H27N — CID 70861971

IUPAC1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine
SMILESCCN1C(C)=C(C(C)C)C(C)CC1(C)C
InChIInChI=1S/C14H27N/c1-8-15-12(5)13(10(2)3)11(4)9-14(15,6)7/h10-11H,8-9H2,1-7H3
InChIKeyFJGDCOKOXZDLEC-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds2

About 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine

1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine (PubChem CID 70861971) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine
PubChem CID70861971
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine
SMILESCCN1C(C)=C(C(C)C)C(C)CC1(C)C
InChIInChI=1S/C14H27N/c1-8-15-12(5)13(10(2)3)11(4)9-14(15,6)7/h10-11H,8-9H2,1-7H3
InChIKeyFJGDCOKOXZDLEC-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine (CID 70861971) is 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine is CCN1C(C)=C(C(C)C)C(C)CC1(C)C.
What is the InChIKey of 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine?
The InChIKey is FJGDCOKOXZDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-8-15-12(5)13(10(2)3)11(4)9-14(15,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine?
1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine has a molecular weight of 209.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 70861971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).