2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine

C14H25N — CID 59435223

IUPAC2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine
SMILESCC(C)=C1C(C(C)C)=NC(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3
InChIKeyNFJSZCMTSZHDLQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds1

About 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine

2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine (PubChem CID 59435223) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine.

Molecular Properties

Compound Name2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine
PubChem CID59435223
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine
SMILESCC(C)=C1C(C(C)C)=NC(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3
InChIKeyNFJSZCMTSZHDLQ-UHFFFAOYSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine?
The IUPAC name of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine (CID 59435223) is 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine.
What is the SMILES notation for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine?
The canonical SMILES for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine is CC(C)=C1C(C(C)C)=NC(C)(C)CC1C.
What is the InChIKey of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine?
The InChIKey is NFJSZCMTSZHDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3.
What are the key properties of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine?
2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine is sourced from PubChem (CID 59435223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).