3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine

C20H25N — CID 57285100

IUPAC3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine
SMILESCC(=CCCc1cccnc1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N/c1-16(2)20-11-9-18(10-12-20)14-17(3)6-4-7-19-8-5-13-21-15-19/h5-6,8-13,15-16H,4,7,14H2,1-3H3
InChIKeyUZGSRHVPYCZJJA-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.33
Rot. Bonds6

About 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine

3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine (PubChem CID 57285100) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine.

Molecular Properties

Compound Name3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine
PubChem CID57285100
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine
SMILESCC(=CCCc1cccnc1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N/c1-16(2)20-11-9-18(10-12-20)14-17(3)6-4-7-19-8-5-13-21-15-19/h5-6,8-13,15-16H,4,7,14H2,1-3H3
InChIKeyUZGSRHVPYCZJJA-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
3-[2-(2-nitro-4-propan-2-ylphenyl)ethyl]pyridine
CID 160930845
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
3-(5-methylhexyl)pyridine
CID 54316004
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
3-(14-methylpentadecyl)pyridine
CID 19697272
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine?
The IUPAC name of 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine (CID 57285100) is 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine.
What is the SMILES notation for 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine?
The canonical SMILES for 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine is CC(=CCCc1cccnc1)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine?
The InChIKey is UZGSRHVPYCZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16(2)20-11-9-18(10-12-20)14-17(3)6-4-7-19-8-5-13-21-15-19/h5-6,8-13,15-16H,4,7,14H2,1-3H3.
What are the key properties of 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine?
3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine has a molecular weight of 279.43 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-(4-propan-2-ylphenyl)pent-3-enyl]pyridine is sourced from PubChem (CID 57285100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).