1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine

C17H29N — CID 170416440

IUPAC1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
SMILESCC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C
InChIInChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3
InChIKeyKTTDCXAVCCUENN-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.13
Rot. Bonds2

About 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine

1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine (PubChem CID 170416440) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
PubChem CID170416440
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
SMILESCC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C
InChIInChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3
InChIKeyKTTDCXAVCCUENN-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The IUPAC name of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine (CID 170416440) is 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine.
What is the SMILES notation for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The canonical SMILES for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine is CC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C.
What is the InChIKey of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The InChIKey is KTTDCXAVCCUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3.
What are the key properties of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine is sourced from PubChem (CID 170416440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).