1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine

C18H35N — CID 91445340

IUPAC1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CC1CC(C)CCN1C(C)(C)CC(C)C
InChIInChI=1S/C18H35N/c1-8-15(4)11-17-12-16(5)9-10-19(17)18(6,7)13-14(2)3/h8,14,16-17H,9-13H2,1-7H3
InChIKeyJBUZWIFYVXPRSY-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.27
Rot. Bonds5

About 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine

1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine (PubChem CID 91445340) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine
PubChem CID91445340
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CC1CC(C)CCN1C(C)(C)CC(C)C
InChIInChI=1S/C18H35N/c1-8-15(4)11-17-12-16(5)9-10-19(17)18(6,7)13-14(2)3/h8,14,16-17H,9-13H2,1-7H3
InChIKeyJBUZWIFYVXPRSY-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine?
The IUPAC name of 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine (CID 91445340) is 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine.
What is the SMILES notation for 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine?
The canonical SMILES for 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine is CC=C(C)CC1CC(C)CCN1C(C)(C)CC(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine?
The InChIKey is JBUZWIFYVXPRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-8-15(4)11-17-12-16(5)9-10-19(17)18(6,7)13-14(2)3/h8,14,16-17H,9-13H2,1-7H3.
What are the key properties of 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine?
1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine has a molecular weight of 265.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-2-yl)-4-methyl-2-(2-methylbut-2-enyl)piperidine is sourced from PubChem (CID 91445340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).